Day: November 21, 2022

Schempp, Tabitha T. published the artcileA General Strategy for the Construction of Functionalized Azaindolines via Domino Palladium-Catalyzed Heck Cyclization/Suzuki Coupling, SDS of cas: 763120-58-7, the publication is Organic Letters (2017), 19(13), 3616-3619, database is CAplus and MEDLINE.

The preparation of substituted azaindolines utilizing a domino palladium-catalyzed Heck cyclization/Suzuki coupling is described. The approach is amenable for the construction of all four azaindoline isomers. A range of functional groups such as esters, amides, ketones, sulfones, amines, and nitriles are all tolerated under the reaction conditions.

Organic Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, SDS of cas: 763120-58-7.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Guo, Heng-jie published the artcileSolubility and thermodynamic properties of a kind of explosives in four binary solvents, Formula: C4H6N2, the publication is Journal of Molecular Liquids (2017), 313-327, database is CAplus.

The solubility values of 1-methyl-3,4,5-trinitropropyrazole (MTNP) in four different binary solvents of water + (methanol, ethanol, 1-propanol and 2-propanol) at nine different temperatures from (283.15 to 323.15) K were firstly measured by a gravimetric method under atm. pressure. The exptl. data showed that the solubility of MTNP increases with the increasing temperature in binary solvent mixtures Besides, the dissolving capacity of MTNP decreased with the increasing water mole fraction ranging from 0.1000 to 0.7000 at a temperature Addnl., results of these measurements were correlated by the modified Apelblat equation, vant’t Hoff equation, CNIBS/R-K model and Jouyban-Acree model, and all of the models provided a satisfactory results in binary solvents. In addition, the thermodn. properties of solution in different binary solvent mixtures, such as enthalpy, Gibbs energy and entropy can be calculated by the vant’t Hoff equation and the Gibbs equation. Apparent thermodn. quantities of mixing were also calculated for MTNP using values of the ideal solubility reported in the literature. Solid-liquid surface tension and surface entropy factor of MTNP were estimated by using the exptl. solubility data.

Journal of Molecular Liquids published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Formula: C4H6N2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Bauer, Victor J. published the artcile4-[3(5)-Pyrazolyl]pyridinium salts. A new class of hypoglycemic agents, Safety of 4-(1H-Pyrazol-4-yl)pyridine, the publication is Journal of Medicinal Chemistry (1968), 11(5), 981-4, database is CAplus and MEDLINE.

A series of 4-[3(5)-pyrazolyl]pyridinium salts (I) was synthesized. Many of these compounds display interesting hypoglycemic activity in alloxandiabetic mice; a structure-activity relationship is derived.

Journal of Medicinal Chemistry published new progress about 19959-71-8. 19959-71-8 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Pyridine, name is 4-(1H-Pyrazol-4-yl)pyridine, and the molecular formula is C8H7N3, Safety of 4-(1H-Pyrazol-4-yl)pyridine.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Plescia, Salvatore published the artcileStudies of the synthesis of heterocyclic compounds. Part VII. The preparation of some new 3- and 5-aminopyrazoles by endocyclic N-substitution of 3(5)-aminopyrazoles, Synthetic Route of 23286-70-6, the publication is Journal of Heterocyclic Chemistry (1982), 19(3), 685-7, database is CAplus.

Reaction of ethoxycarbonyl and cyano 3-aminopyrazoles with 2-O₂NC₆H₄COCl or 2-O₂NC₆H₄SO₂Cl gave novel 3- and 5-amino-1-(2-nitrobenzoyl or 2-nitrobenzenesulfonyl)pyrazoles. The endocyclic N-substitution products were identified and determined by chromatog. NMR was a rapid, unambiguous method for determining the proposed structures.

Journal of Heterocyclic Chemistry published new progress about 23286-70-6. 23286-70-6 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Amine,Ester, name is Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, and the molecular formula is C7H11N3O2, Synthetic Route of 23286-70-6.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wei, Wei published the artcileMetal-free molecular iodine-catalyzed direct sulfonylation of pyrazolones with sodium sulfinates leading to sulfonated pyrazoles at room temperature, Safety of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Organic Chemistry Frontiers (2017), 4(1), 26-30, database is CAplus.

A simple and convenient mol. iodine-catalyzed direct sulfonylation of pyrazolones with sodium sulfinates has been developed in the presence of TBHP at room temperature This methodol. can allow for the synthesis of a series of valuable sulfonated pyrazoles, e.g., I in good to excellent yields simply using readily-available starting materials without requiring any metal or cryogenics.

Organic Chemistry Frontiers published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C11H10O, Safety of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Liu, Xiaoxia published the artcileMetal-free direct construction of sulfenylated pyrazoles via the NaOH promoted sulfenylation of pyrazolones with aryl thiols, Application of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is RSC Advances (2016), 6(57), 51830-51833, database is CAplus.

A convenient and cost-effective NaOH-promoted direct sulfenylation of pyrazolones with aryl thiols has been developed under mild and metal-free conditions. In this transformation, a range of valuable sulfenylated pyrazoles can be easily achieved in moderate to excellent yields, with high atom efficiency and good functional group tolerance.

RSC Advances published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Application of 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Kavanagh, Madeline E. published the artcileFragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors, Quality Control of 763120-58-7, the publication is Journal of Medicinal Chemistry (2016), 59(7), 3272-3302, database is CAplus and MEDLINE.

The essential enzyme CYP121 is a target for drug development against antibiotic resistant strains of Mycobacterium tuberculosis. A triazol-1-yl phenol fragment 1 was identified to bind to CYP121 using a cascade of biophys. assays. Synthetic merging and optimization of 1 produced a 100-fold improvement in binding affinity, yielding lead compound 2 (K_D = 15 μM). Deconstruction of 2 into its component retrofragments allowed the group efficiency of structural motifs to be assessed, the identification of more LE scaffolds for optimization and highlighted binding affinity hotspots. Structure-guided addition of a metal-binding pharmacophore onto LE retrofragment scaffolds produced low nanomolar (K_D = 15 nM) CYP121 ligands. Elaboration of these compounds to target binding hotspots in the distal active site afforded compounds with excellent selectivity against human drug-metabolizing P450s. Anal. of the factors governing ligand potency and selectivity using X-ray crystallog., UV-vis spectroscopy, and native mass spectrometry provides insight for subsequent drug development.

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Quality Control of 763120-58-7.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Khan, Misbahul Ain published the artcilePyranopyrazoles. II. Synthesis and reactions of 1H,6H-pyrano[2,3-c]pyrazol-6-ones, Computed Properties of 14580-22-4, the publication is Journal of Heterocyclic Chemistry (1982), 19(5), 1077-85, database is CAplus.

Pyranopyrazolones I [R = H, Me, (un)substituted Ph; R¹, R² = Me, Ph; R³ = H] were prepared by treating R¹COCH₂CO₂Et with RNHNH₂ or II. Nitration, chlorination, and bromination of these pyranopyrazolones gave I (R³ = NO₂, Cl, Br). The substitution products are formed by addition-elimination.

Journal of Heterocyclic Chemistry published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Computed Properties of 14580-22-4.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

de Araujo, Marcos Lopes published the artcileThe effect of additives (pyrazine, pyrazole and their derivatives) in the oxidation of 2-butanol with FeCl₃-H₂O₂ in aqueous solutions, Related Products of pyrazoles-derivatives, the publication is Catalysis Today (2021), 163-170, database is CAplus.

In the present paper we described the oxidation of 2-butanol as a representative of secondary aliphatic alcs. The oxidizing system FeCl₃-H₂O₂ was used. A kinetic study of the oxidation reaction has been carried out. Different substituted pyrazines and pyrazoles, namely 2-pyrazinecarboxylic acid (PCA), 5-methyl-2-pyrazinecarboxylic acid (5MPCA), 2-methylpyrazine (2MPZINE), 3-(trifluoromethyl)pyrazole (3TFMPZOLE), 3-methylpyrazole (3MPZOLE) and 1-methylpyrazole (1MPZOLE) were added as cooperating ligands in aqueous solutions DFT based calculations were also used in order to evaluate the different results obtained. Addition of PCA, 5MPCA and 3TFMPZOLE led to a better reaction performance, while the other ligands led to lower accumulation of products than the reaction without additives. Performed DFT studies suggested that the metal-ligand π-backbonding might be responsible for the reaction activity increase, while ligands more strongly bonded to Fe make it more difficult the access to the metal, leading to lower yields.

Catalysis Today published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Related Products of pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Antonow, Dyeison published the artcileParallel Synthesis of a Novel C2-Aryl Pyrrolo[2,1-c][1,4]benzodiazepine (PBD) Library, Related Products of pyrazoles-derivatives, the publication is Journal of Combinatorial Chemistry (2007), 9(3), 437-445, database is CAplus and MEDLINE.

A 66-membered library of C2-aryl pyrrolo[2,1-c][1,4]benzodiazepines I [R = Ph, 4-MeOC₆H₄, 3-H₂NC₆H₄, 2-F₃CC₆H₄, 4-(4-methyl-1-piperazinyl)phenyl, 2-thienyl, 4-pyridyl, 2-naphthyl, etc.] has been successfully prepared by parallel synthesis via Suzuki coupling using polystyrene-bound Pd(PPh₃)₄ as catalyst and polystyrene-bound diethanolamine as scavenger under microwave irradiation Library members were obtained in sufficient yields (up to 91%) and purity (85-98% crude) for biol. evaluation.

Journal of Combinatorial Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Related Products of pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics