Month: December 2021

Recommanded Product: 3-Methyl-1-p-tolyl-5-pyrazolone. In 2021 CHEM-EUR J published article about ENANTIOSELECTIVE ADDITION; TERTIARY ALCOHOLS; PYRAZOLONE DERIVATIVES; ORGANOZINC REAGENTS; ALKYLZINC REAGENTS; ALPHA-KETOESTERS; KETONES; DIETHYLZINC; HYDROXYLATION; DIMETHYLZINC in [Wang, Rong-Hui; Li, Ya-Ling; He, Hong-Jiao; Xiao, You-Cai; Chen, Fen-Er] Sichuan Univ, Sichuan Res Ctr Drug Precis Ind Technol, West China Sch Pharm, Chengdu 610041, Peoples R China; [Chen, Fen-Er] Fudan Univ, Engn Ctr Catalysis & Synth Chiral Mol, Dept Chem, Shanghai 200433, Peoples R China; [Chen, Fen-Er] Shanghai Engn Ctr Ind Asymmetr Catalysis Chiral D, Shanghai 200433, Peoples R China in 2021, Cited 67. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0.

The catalytic enantioselective diorganozinc additions to cyclic diketones including pyrazolin-4,5-diones and isatins have been developed. In the presence of morpholine-containing chiral amino alcohol ligand, the corresponding chiral cyclic tertiary alcohols were produced in good to excellent yields (up to 97 %) and enantioselectivities (up to 95 % ee). The notable feature of this protocol includes its mild reaction conditions, Lewis acid additives free and broad functional group tolerance.

Recommanded Product: 3-Methyl-1-p-tolyl-5-pyrazolone. Welcome to talk about 86-92-0, If you have any questions, you can contact Wang, RH; Li, YL; He, HJ; Xiao, YC; Chen, FE or send Email.

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

An article Synthesis and Biological Activities of Novel N-Substitutedphenyl-2-pyrazolylnicotinamides WOS:000469862900033 published article about INSECTICIDAL ACTIVITIES; ANTHRANILIC DIAMIDES; DESIGN; DERIVATIVES; SAR in [Shang, Junfeng; Liu, Qiaoxia; Wang, Baolei; Li, Zhengming] Nankai Univ, Coll Chem, State Key Lab Elementoorgan Chem, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Tianjin 300071, Peoples R China in 2019.0, Cited 18.0. Computed Properties of C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Based on the agrochemical structure of anthranilic diamides, fourteen novel N-substittitedphenyl-2-pyrazolylnicotinamides were conveniently synthesized with 2-chloro-3-cyanopyridine and 4-bromopyrazole or 3,5-dimethylpyrazole as starting materials, via an acyl transposing design strategy. Their structures were characterized by 1H NMR, 13C NMR and HRMS. The preliminary bioassay tests indicated that most of these compounds exhibited obvious insecticidal activity at the test concentration of 200 mg/L, among which N-(4-chloro-2-(ethylcarbamoyl)-6-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)nicotinamide (II) possessed a 70% mortality rate against Mythimna separata Walker: some of the compounds displayed favorable fungicidal activities at 50 mg/L towards Physalospora piricola and Alternaria solani Sorauer, especially 2-(4-bromo-1H-pyrazol-1-yl)-N-(2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl)nicotinamide (If) and 2-(4-bromo-1H-pyrazol-1-yl)-N-(4-chloro-2-(ethylcarbamoyl)-6-methylphenyl)nicotinamide (Ih) against Physalospora piricola, and 2-(4-bromo-1H-pyrazol-1-yl)-N-(4-chloro-2-(propylcarbamoyl)phenyl)nicotinamide (Id) against Alternaria solani Sorauer had growth inhibitory rates of 62.9%, 54.3% and 54.5%, respectively. These research results provide important reference for the further study of novel 2-pyrazolylnicotinamide derivatives.

Computed Properties of C5H8N2. Welcome to talk about 67-51-6, If you have any questions, you can contact Shang, JF; Liu, QX; Wang, BL; Li, ZM or send Email.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Pd(ii)-Catalyzed alkyne annulation through allylic isomerization: synthesis of spiro-cyclopentadiene pyrazolones WOS:000653779300001 published article about PHOTOPHYSICAL PROPERTIES; ACTIVATION; FUNCTIONALIZATION; MECHANISM in [Changmai, Sumi; Sultana, Sabera; Gogoi, Sanjib] North East Inst Sci & Technol, CSIR, Chem Sci & Technol Div, Appl Organ Chem, Jorhat 785006, Assam, India; [Changmai, Sumi; Sultana, Sabera; Gogoi, Sanjib] AcSIR, Ghaziabad 201002, India; [Sarma, Bipul] Tezpur Univ, Dept Chem Sci, Tezpur 784028, Assam, India in 2021, Cited 30. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0. SDS of cas: 86-92-0

The Pd(ii)-catalyzed activation of Csp(2)-H bond and double alkyne annulation which proceeds via allylic isomerization is reported for the first time. This reaction of antipyrines with alkynes provides an efficient synthetic route for the biologically important spiro-cyclopentadiene pyrazolones. In the presence of Lawesson’s reagent, this Pd(ii)-catalyzed annulation reaction affords another spiro-cyclopentadiene pyrazolone which displays very good fluorescence properties.

About 3-Methyl-1-p-tolyl-5-pyrazolone, If you have any questions, you can contact Changmai, S; Sultana, S; Sarma, B; Gogoi, S or concate me.. SDS of cas: 86-92-0

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Authors Panarese, JD; Engers, DW; Wu, YJ; Guernon, JM; Chun, A; Gregro, AR; Bender, AM; Capstick, RA; Wieting, JM; Bronson, JJ; Macor, JE; Westphal, R; Soars, M; Engers, JE; Felts, AS; Rodriguez, AL; Emmitte, KA; Jones, CK; Blobaum, AL; Conn, PJ; Niswender, CM; Hopkins, CR; Lindsley, CW in PERGAMON-ELSEVIER SCIENCE LTD published article about POSITIVE ALLOSTERIC MODULATOR; MGLUR4; VU0418506; SERIES in [Panarese, Joseph D.; Engers, Darren W.; Chun, Aspen; Gregro, Alison R.; Bender, Aaron M.; Capstick, Rory A.; Wieting, Joshua M.; Engers, Julie E.; Felts, Andrew S.; Rodriguez, Alice L.; Emmitte, Kyle A.; Jones, Carrie K.; Blobaum, Anna L.; Conn, P. Jeffrey; Niswender, Colleen M.; Hopkins, Corey R.; Lindsley, Craig W.] Vanderbilt Univ, Vanderbilt Ctr Neurosci Drug Discovery, Nashville, TN 37232 USA; [Panarese, Joseph D.; Engers, Darren W.; Chun, Aspen; Gregro, Alison R.; Bender, Aaron M.; Capstick, Rory A.; Wieting, Joshua M.; Engers, Julie E.; Felts, Andrew S.; Rodriguez, Alice L.; Emmitte, Kyle A.; Jones, Carrie K.; Blobaum, Anna L.; Conn, P. Jeffrey; Niswender, Colleen M.; Hopkins, Corey R.; Lindsley, Craig W.] Vanderbilt Univ, Dept Pharmacol, Nashville, TN 37232 USA; [Wu, Yong-Jin; Guernon, Jason M.; Bronson, Joanne J.; Macor, John E.; Westphal, Ryan; Soars, Matthew] Bristol Myers Squibb Co, Res & Dev, 5 Res Pkwy, Wallingford, CT 06492 USA; [Lindsley, Craig W.] Vanderbilt Univ, Dept Chem, Nashville, TN 37232 USA; [Lindsley, Craig W.] Vanderbilt Univ, Dept Biochem, Nashville, TN 37232 USA; [Conn, P. Jeffrey; Niswender, Colleen M.] Vanderbilt Univ, Med Ctr, Vanderbilt Kennedy Ctr, Nashville, TN 37232 USA in 2019.0, Cited 18.0. Application In Synthesis of 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

This letter describes the first account of the chemical optimization (SAR and DMPK profiling) of a new series of mGlu(4) positive allosteric modulators (PAMs), leading to the identification of VU0652957 (VU2957, Valiglurax), a compound profiled as a preclinical development candidate. Here, we detail the challenges faced in allosteric modulator programs (e.g., steep SAR, as well as subtle structural changes affecting overall physiochemical/DMPK properties and CNS penetration).

Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.. Application In Synthesis of 3,5-Dimethyl-1H-pyrazole

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

An article Remote Charge Effects on the Oxygen-Atom-Transfer Reactivity and Their Relationship to Molybdenum Enzymes WOS:000458085900039 published article about ELECTRONIC-STRUCTURE CONTRIBUTIONS; SULFITE OXIDASE; ACTIVE-SITE; DIOXOMOLYBDENUM(VI) COMPLEXES; DIOXO-MO(VI) COMPLEX; DIOXYGEN ACTIVATION; CRYSTAL-STRUCTURE; CIS-DIOXO; LIGANDS; MODEL in [Paudel, Jaya; Li, Feifei] New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA; [Pokhrel, Amrit; Kirk, Martin L.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA in 2019.0, Cited 89.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Product Details of 67-51-6

We report the syntheses, crystal structures, and characterization of the novel cis-dioxomolybdenum(VI) complexes [Tpm*(MoO2Cl)-O-VI](MoO2Cl3) (1) and [Tpm*(MoO2Cl)-O-VI](ClO4) (2), which are supported by the charge-neutral tris(3,5-dimethyl-1-pyrazolyl)methane (Tpm*) ligand. A comparison between isostructural [Tpm*(MoO2Cl)-O-VI](+) and Tp*(MoO2Cl)-O-VI [Tp* = hydrotris(3,5-dimethyl-1-pyrazolyl)borate] reveals the effects of one unit of overall charge difference on their spectroscopic and electrochemical properties, geometric and electronic structures, and O-atom-transfer (OAT) reactivities, providing new insight into pyranopterin molybdoenzyme OAT reactivity. Computational studies of these molecules indicate that the delocalized positive charge lowers the lowest unoccupied molecular orbital (LUMO) energy of cationic [Tpm*MoO2Cl](+) relative to Tp*MoO2Cl. Despite their virtually identical geometric structures revealed by crystal structures, the Mo-VI/Mo-V redox potential of 2 is increased by 350 mV relative to that of Tp*(MoO2Cl)-O-VI. This LUMO stabilization also contributes to an increased effective electrophilicity of [Tp*MoO2Cl](+) relative to that of Tp*MoO2Cl, resulting in a more favorable resonant interaction between the molydenum complex LUMO and the highest occupied molecular orbital (HOMO) of the PPh3 substrate. This leads to a greater thermodynamic driving force, an earlier transition state, and a lowered activation barrier for the orbitally controlled first step of the OAT reaction in the Tpm* system relative to the Tp* system. An Eyring plot analysis shows that this initial step yields an O Mo-IV-OPPh3 intermediate via an associative transition state, and the reaction is similar to 500-fold faster for 2 than for Tp*MoO2Cl. The second step of the OAT reaction entails solvolysis of the O Mo-IV-OPPh3 intermediate to afford the solvent-substituted Mo-IV product and is 750-fold faster for the Tpm* system at -15 degrees C compared to the Tp* system. The observed rate enhancement for the second step is ascribed to a switch of the reaction mechanism from a dissociative pathway for the Tp* system to an alternative associative pathway for the Tpm* system. This is due to a more Lewis acidic Mo-IV center in the Tpm* system.

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Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Authors Fan, LL; Zhang, YY; Tarin, MWK; He, TY; Rong, JD; Zheng, YS in TAYLOR & FRANCIS LTD published article about in [Fan, Lili; Zhang, Yangyang; Rong, Jundong; Zheng, Yushan] Fujian Agr & Forestry Univ, Coll Forestry, Fuzhou, Peoples R China; [Tarin, Muhammad Waqqas Khan; He, Tianyou; Zheng, Yushan] Fujian Agr & Forestry Univ, Coll Landscape, Fuzhou, Peoples R China in 2020, Cited 7. Category: pyrazoles-derivatives. The Name is 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid. Through research, I have a further understanding and discovery of 83-10-3

Ampelocalamus scandens is native to Guizhou Province, China, and grows at an altitude of 260-320 m. It can be used as a raw material for weaving and papermaking. In the current study, the complete chloroplast (cp) genome of A. scandens was sequenced and is reported for the first time. The complete cp sequence was 139,504 bp, include large single-copy (LSC), small single-copy (SSC), and a pair of invert repeats (IR) region of 83,103 bp, 12,813 bp, and 21,793 bp, respectively. Besides, the plastid genome comprised a total of 132 genes, including protein-coding, tRNA, and rRNA genes as 85, 39, and 8 genes, respectively. Phylogenetic analysis based on 28 cp genomes reveals that A. scandens is closely associated with Ampelocalamus melicoideus in Arundinarodae.

Welcome to talk about 83-10-3, If you have any questions, you can contact Fan, LL; Zhang, YY; Tarin, MWK; He, TY; Rong, JD; Zheng, YS or send Email.. Category: pyrazoles-derivatives

Reference:
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Huang Daowei; Wang Wenya; Zhang Zhiguo; Jiang Ling; (45 pag.)CN107286140; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

An article Iridium-Catalyzed Regio- and Enantioselective Borylation of Unbiased Methylene C(sp(3))-H Bonds at the Position beta to a Nitrogen Center WOS:000612674200001 published article about C-H BONDS; ALIPHATIC AMIDES; ARYLATION; AMINOBORATION; ESTERS; FUNCTIONALIZATION; ACTIVATION; SECONDARY; CONSTRUCTION; AMIDATION in [Du, Rongrong; Liu, Luhua; Xu, Senmiao] Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Oxo Synth & Select Oxidat, Ctr Excellence Mol Synth,Suzhou Res Inst, Lanzhou 730000, Peoples R China; [Du, Rongrong; Liu, Luhua] Univ Chinese Acad Sci, Beijing 100049, Peoples R China; [Xu, Senmiao] Hangzhou Normal Univ, Minist Educ, Key Lab Organosilicon Chem & Mat Technol, Hangzhou 311121, Peoples R China in 2021.0, Cited 95.0. Recommanded Product: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Reported herein is the pyrazole-directed iridium-catalyzed enantioselective borylation of unbiased methylene C-H bonds at the position beta to a nitrogen center. The combination of a chiral bidentate boryl ligand, iridium precursor, and pyrazole directing group was responsible for the high regio- and enantioselectivity observed. The method tolerated a vast array of functional groups to afford the corresponding C(sp(3))-H functionalization products with good to excellent enantioselectivity.

Recommanded Product: 67-51-6. Welcome to talk about 67-51-6, If you have any questions, you can contact Du, RR; Liu, LH; Xu, SM or send Email.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

Recently I am researching about LIGNOCELLULOSIC BIOMASS PYROLYSIS; CATALYTIC PYROLYSIS; SEWAGE-SLUDGE; GASIFICATION; COAL; COMBUSTION; WOOD; MECHANISMS; PRECURSORS; CELLULOSE, Saw an article supported by the Ministry of Science and Technology of the People’s Republic of ChinaMinistry of Science and Technology, China [2017YFE0124800]. Published in PERGAMON-ELSEVIER SCIENCE LTD in OXFORD ,Authors: Kang, QH; Mao, X; Siyal, AA; Liu, Y; Ran, CM; Deng, ZY; Fu, J; Ao, WY; Song, YM; Dai, JJ. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole. Quality Control of 3,5-Dimethyl-1H-pyrazole

Microwave-assisted pyrolysis of furfural residue (FR) in an auger reactor was conducted. The biochar yield decreased and non-condensable gas yield increased with increasing temperature. Condensate yield reached maximum (i.e. 21.49 wt%) at 550 degrees C. Kaolin, CaO and K2CO3 enhanced tar secondary reactions, reduced the yield and O/C ratio of bio-oil, improved GC-MS areas of phenolic compounds to 76.25%, 89.28% and 93.1%, respectively. All additives improved yields of H-2 and CH4, while CaO reduced CO2. With increasing temperature, relative proportion (RP) of HCN/NH3 reached up to 13.67, while RP of H2S and chlorine in volatiles increased from 1.17%, 5.97% to 2.75%, 9.00%, respectively. Ammonia nitrogen in volatiles increased to 6.94% by K2CO3. Kaolin improved RP of HCN from 0.11% to 5.47%, while K2CO3 eliminated HCN. H2S increased with kaolin addition and decreased with CaO and K2CO3. Electricity consumption of MWAP varied from 0.5 to 3.78 (kWh/kg FR) depending on temperatures and additives. (C) 2019 Elsevier Ltd. All rights reserved.

Quality Control of 3,5-Dimethyl-1H-pyrazole. Welcome to talk about 67-51-6, If you have any questions, you can contact Kang, QH; Mao, X; Siyal, AA; Liu, Y; Ran, CM; Deng, ZY; Fu, J; Ao, WY; Song, YM; Dai, JJ or send Email.

Reference:
Pyrazole – Wikipedia,
,Pyrazoles – an overview | ScienceDirect Topics

COA of Formula: C12H12N2O3. In 2020 CANCER MANAG RES published article about CLINICAL-PRACTICE; SURVIVAL; MULTICENTER; ANTITUMOR; SAFETY; SITE; SEX in [Novakova-Jiresova, Alena; Boublikova, Ludmila; Buchler, Tomas] Charles Univ Prague, Fac Med 1, Dept Oncol, Videnska 800, Prague 14059, Czech Republic; [Novakova-Jiresova, Alena; Boublikova, Ludmila; Buchler, Tomas] Charles Univ Prague, Thomayer Hosp, Videnska 800, Prague 14059, Czech Republic; [Kopeckova, Katerina; Batko, Stanislav; Linke, Zdenek; Prausov, Jana] Charles Univ Prague, Univ Hosp Motol, Dept Oncol, Prague, Czech Republic; [Chloupkov, Renata] Masaryk Univ, Fac Med, Inst Biostat & Anal, Brno, Czech Republic; [Melichar, Bohuslav] Palacky Univ Med, Dept Oncol, Olomouc, Czech Republic; [Melichar, Bohuslav] Teaching Hosp, Olomouc, Czech Republic; [Petruzelka, Lubos] Charles Univ Prague, Gen Fac Hosp, Dept Oncol, Prague, Czech Republic; [Finek, Jindrich; Fiala, Ondrej] Charles Univ Prague, Med Sch, Dept Oncol & Radiotherapy, Plzen, Czech Republic; [Finek, Jindrich; Fiala, Ondrej] Charles Univ Prague, Univ Hosp Pilsen, Plzen, Czech Republic; [Fiala, Ondrej] Charles Univ Prague, Fac Med Pilsen, Biomed Ctr, Plzen, Czech Republic; [Grell, Peter; Kiss, Igor] Masaryk Mem Canc Inst, Dept Comprehens Canc Care, Brno, Czech Republic in 2020, Cited 30. The Name is 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid. Through research, I have a further understanding and discovery of 83-10-3.

Purpose: Regorafenib is an oral multikinase inhibitor approved for the therapy of previously treated metastatic colorectal carcinoma (mCRC). The aim of the present study was to analyze the outcomes of treatment with regorafenib in real-world clinical practice based on data from a national registry. Methods: The CORECT registry, the Czech non-interventional database of patients with mCRC treated with targeted agents, searched for patients with metastatic CRC treated with regorafenib. In total, 555 evaluable patients were identified. Results: The median age at diagnosis was 61.7 years. All patients had disease progression on or after previous systemic treatment. Most patients were treated with an initial dose of 160 mg daily (n = 463; 83.6%). The median duration of treatment was 2.7 months (range 0.023.4 months). By the data cut-off date, 472 patients (85%) had completed treatment with regorafenib and were evaluable for treatment response evaluation. Partial response was reported in 13 patients (2.8%) and disease stabilization in 130 patients (27.5%). Median progression-free survival (PFS) and overall survival (OS) were 3.5 months (95% confidence interval [CI] 3.2-3.7 months) and 9.3 months (95% CI 8.3-10.3 months), respectively. The 6-month OS rate was 67.7% (95% CI 63.4-72.1%). Multivariable analysis showed that female gender, longer interval from diagnosis of metastatic disease, MO stage at diagnosis, and Eastern Cooperative Oncology Group performance status (ECOG PS) 0 were associated with longer PFS, while higher body-mass index (BMI), longer interval from diagnosis of metastatic disease, and ECOG PS of 0 were associated with longer OS. Conclusion: OS of patients treated with regorafenib in the real-world clinical practice in this cohort exceeded that reported in randomized trials. Regorafenib is a safe and active treatment option for a subgroup of patients with mCRC who are progressing after other systemic therapies and maintain good performance status.

Welcome to talk about 83-10-3, If you have any questions, you can contact Novakova-Jiresova, A; Kopeckova, K; Boublikova, L; Chloupkov, R; Melichar, B; Petruzelka, L; Finek, J; Fiala, O; Grell, P; Batko, S; Linke, Z; Kiss, I; Prausov, J; Buchler, T or send Email.. COA of Formula: C12H12N2O3

Reference:
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Huang Daowei; Wang Wenya; Zhang Zhiguo; Jiang Ling; (45 pag.)CN107286140; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Today I’d like to introduce a new chemical compound, CAS is 1159408-65-7, Electric Literature of 1159408-65-7, Name is 4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate, Formula is C81H129F3N10O38, Molecular Weight is 1907.93g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.

The general reactant of this compound is 5-[[3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentanoic acid；Phenylmethyl N-[2-[3-[(3-aminopropyl)amino]-3-oxopropoxy]-1,1-bis[[3-[(3-aminopropyl)amino]-3-oxopropoxy]methyl]ethyl]carbamate, Reagents is 1-Hydroxybenzotriazole,Diisopropylethylamine,1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide, Catalyst(), Solvent is Dimethylformamide, Products Phenylmethyl 8,14-dioxo-3,3-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-18-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-5-oxa-2,9,13-triazaoctadecanoate, Yield: 58%, Synthetic Methods procedure :1. Add HOBt ( 25.00 g, 0.16 mmol ) and HBTU ( 75.15 g, 198.15 mmol ) to a solution of triamine ( 35.0 g, 54 mmol ) and the acid ( 80.54 g, 180.10 mmol ) in DMF ( 300 mL ) ., 2. Add DIEA ( 94 mL, 544 mmol ) slowly to above mixture., 3. Stir the reaction for 3 hours at room temperature, dilute with water and extract the mixture with ether ( 300 mL ) ., 4. Separate the water phase, extract with DCM ( 2 x 500 mL ) and wash the combined organic layers consecutively with saturated NaHCO3 ( 400 mL ) , water ( 2 x 300 mL ) and brine ( 300 mL ) ., 5. Dry over anhydrous Na2SO4, evaporate the solvent under reduced pressure., Transfornation (Acylation of Nitrogen Nucleophiles by Carboxylic Acids. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 7.87–7.76 ( m, 6H, NH ) ; 7.71 ( t, J = 5.7 Hz, 3H, NH ) ; 7.37-7.25 ( m, 5H ) ; 6.52 ( brs, 1H, NH ) ; 5.20 ( d, J = 3.4 Hz, 3H, sugar H4 ) ; 5.00–4.92 ( m, 5H ) ; 4.47 ( d, J = 8.5 Hz, 3H, sugar H1 ) ; 4.06–3.97 ( m, 9H, sugar H5, H6, H6′ ) ; 3.86 ( dt, J = 8.8, 11.1 Hz, 3H, sugar H2 ) ; 3.69 ( dt, J = 5.6, 9.9 Hz, 3H ) ; 3.53 ( t, J = 6.4 Hz, 6H ) ; 3.47 ( s broad, 6H ) ; 3.39 ( dt, J = 6.4, 9.9 Hz, 3H ) ; 3.07-2.97 ( m, 12H ) ; 2.26 ( t, J = 6.4 Hz, 6H ) ; 2.09 ( s, 9H ) ; 2.03 ( t, J = 7.0 Hz, 6H ) ; 1.98 ( s, 9H ) ; 1.88 ( s, 9H ) ; 1.76 ( s, 9H ) ; 1.58–1.35 ( m, 18H ) ., Carbon-13 NMR : ( 126 MHz, DMSO-d 6 ) : δ171.9, 170.0, 169.9, 169.9, 169.6, 169.4, 137.2, 128.3, 127.7, 127.5, 101.0, 79.2, 70.5, 69.8, 68.7, 68.2, 67.3, 66.7, 61.4, 58.8, 49.4, 36.4, 36.3, 36.1, 35.0, 29.3, 28.6, 22.8, 21.8, 20.5, 20.5, 20.4., HRMS: Mass calc. for C87H134N10O38: 1926.88; found: 1949.89 [M+Na+, MALDI-TOF, matrix: 2- ( 4-hydroxyphenylazo ) benzoic acid ( HABA ) ]., State is pale yellow solid

I’m so glad you had the patience to read the whole article, if you want know more about 1159408-65-7, Electric Literature of 1159408-65-7, you can browse my other blog.

Reference:
CAS Method Number 3-353-CAS-9716164,
,CAS Method Number 3-367-CAS-11845945