Tag: M.W=50-100

Igarashi, Mami published the artcileCatalytic oxidation of 2,4,6-tribromophenol using iron(III) complexes with imidazole, pyrazole, triazine and pyridine ligands, Recommanded Product: 1-Methylpyrazole, the publication is Journal of Molecular Catalysis A: Chemical (2016), 100-106, database is CAplus.

Five types of non-heme iron complexes, coordinated with imidazole, pyrazole, triazine and pyridine ligands, which had been previously synthesized, were used in the following studies. Among these complexes, the mer-[FeCl₃(terpy)] complex showed the highest catalytic activity for the oxidative degradation of 2,4,6-tribromophenol (TrBP) using KHSO₅ as an oxygen donor. The turnover numbers for the degradation and debromination of TrBP in the mer-[FeCl₃(terpy)]/KHSO₅ catalytic system were estimated to be 1890 ± 1 and 4020 ± 216, resp. The catalytic activity was significantly inhibited at pH 4-7 in the presence of a humic acid, a major component of landfill leachates. However, the percent of TrBP degradation and debromination increased at pH 8. GC/MS analyses showed that a major oxidation product was 2,6-dibromo-p-benzoquinone (DBQ) and its level decreased with increasing reaction time, suggesting that organic acids (identified by LC/TOF-MS) are formed via the ring-cleavage of DBQ. Mineralization to CO₂ was observed to be 15% as a result of the oxidation for a 3 h period, where TOC values before and after the reaction were measured. Absorption spectra of mer-[FeCl₃(terpy)] with m-chloroperoxybenzoic acids as an oxygen donor in acetonitrile showed that a center metal, Fe, formed a peroxide complex with the oxygen donor.

Journal of Molecular Catalysis A: Chemical 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, Recommanded Product: 1-Methylpyrazole.

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

Zhang, Jingshun published the artcileCombination of experimental and theoretical methods to explore the amino-functionalized pyrazolium ionic liquids: An efficient single-component catalyst for chemical fixation of CO₂ under mild conditions, Synthetic Route of 930-36-9, the publication is Molecular Catalysis (2019), 37-45, database is CAplus.

Four new amino-functionalized pyrazolium ionic liquids, I [R = Me, Et; n = 1, 2] were firstly synthesized in simple reaction steps with cheap raw materials. Ionic liquids I would catalyze the coupling reaction of carbon dioxide with propyleneoxide under optimal reaction conditions, 110 °C, 1.5 MPa carbon dioxide initial pressure as well as 1.0 mol% catalyst amount for 4.0 h, with propylene carbonate yield over 94%. The reaction temperature was decreased by 10-20 °C as compared with other single-component ionic liquids and at the same time, carbon dioxide initial pressure was not increased to keep 1.5 MPa. The recyclability and suitability of amino-functionalized pyrazolium ionic liquids were explored and catalytic mechanism was investigated by d. functional theory. Moreover, the influence of weak interactions on reaction was analyzed by atoms in mols. and non-covalent interactions. As compared with other reported ionic liquids, the reaction condition catalyzed by ionic liquid I [R = Et, n = 2] was more benign with comparable product yield. More importantly, there was good balance among various reaction conditions without sacrificing one to ensure others.

Molecular Catalysis 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 C8H8O3, Synthetic Route of 930-36-9.

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

Ludington, Jennifer L. published the artcileVirtual Fragment Preparation for Computational Fragment-Based Drug Design, Category: pyrazoles-derivatives, the publication is Methods in Molecular Biology (New York, NY, United States) (2015), 31-41, database is CAplus and MEDLINE.

Fragment-based drug design (FBDD) has become an important component of the drug discovery process. The use of fragments can accelerate both the search for a hit mol. and the development of that hit into a lead mol. for clin. testing. In addition to exptl. methodologies for FBDD such as NMR and X-ray Crystallog. screens, computational techniques are playing an increasingly important role. The success of the computational simulations is due in large part to how the database of virtual fragments is prepared In order to prepare the fragments appropriately it is necessary to understand how FBDD differs from other approaches and the issues inherent in building up mols. from smaller fragment pieces. The ultimate goal of these calculations is to link two or more simulated fragments into a mol. that has an exptl. binding affinity consistent with the additive predicted binding affinities of the virtual fragments. Computationally predicting binding affinities is a complex process, with many opportunities for introducing error. Therefore, care should be taken with the fragment preparation procedure to avoid introducing addnl. inaccuracies.This chapter is focused on the preparation process used to create a virtual fragment database. Several key issues of fragment preparation which affect the accuracy of binding affinity predictions are discussed. The first issue is the selection of the two-dimensional at. structure of the virtual fragment. Although the particular usage of the fragment can affect this choice (i.e., whether the fragment will be used for calibration, binding site characterization, hit identification, or lead optimization), general factors such as synthetic accessibility, size, and flexibility are major considerations in selecting the 2D structure. Other aspects of preparing the virtual fragments for simulation are the generation of three-dimensional conformations and the assignment of the associated at. point charges.

Methods in Molecular Biology (New York, NY, United States) 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, Category: pyrazoles-derivatives.

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

Shibamoto, Takayuki published the artcileA Novel Gas Chromatographic Method for Determination of Malondialdehyde from Oxidized DNA, SDS of cas: 930-36-9, the publication is Methods in Molecular Biology (New York, NY, United States) (2015), 49-62, database is CAplus and MEDLINE.

Malondialdehyde (MA) is known to form from various lipids upon oxidation as one of secondary oxidation products. Determination of MA formed from lipid peroxidation has been used to examine occurrence of oxidative damages associated with many diseases, such as cancer, Alzheimer’s, arthritis, inflammation, diabetes, atherosclerosis, and AIDS as well as aging. Anal. of MA is, however, extremely difficult because it is highly reactive and readily polymerized and forming adducts with biol. substances such as proteins, phospholipids, and DNA (Shibamoto, J Pharm Biomed Anal 41:12-25, 2002). Gas chromatog. method using stable derivative, 1-methylpyrazole was advanced and has been successfully used to analyze MA in various lipids and lipid-rich foods. This method was also applied to determine MA formed from DNA and related compounds The amounts found in oxidized 2-deoxyribonucleotides were 213.8 nmol/16 mmol in 2-deoxyguanosine, 130.6 nmol/16 mmol in 2-deoxycytidine, 85.1 nmol/16 mmol in 2-deoxyadenosine, and 84.5 nmol/16 mmol in thymidine. When the antioxidant activity of flavonoids and anthocyanins against calf thymus DNA oxidized with Fenton’s reagent was examined using this newly developed gas chromatog. method, antioxidant activity of flavonoids and anthocyanins ranged from 48.5% (catechin) to 29.9% (apigenin) and from 45.0% (callistephin) to 10.2% (cyaniding), resp.

Methods in Molecular Biology (New York, NY, United States) 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 C3H5F3O, SDS of cas: 930-36-9.

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

Zhao, Xiao-Yun published the artcileSynthesis and characterization of N-heterocyclic carbene-palladium(II) chlorides-1-methylindazole and -1-methylpyrazole complexes and their catalytic activity toward C-N coupling of aryl chlorides, Category: pyrazoles-derivatives, the publication is RSC Advances (2016), 6(29), 24484-24490, database is CAplus.

A series of N-heterocyclic carbene-palladium(II) chlorides-1-methylindazole and -1-methylpyrazole complexes was successfully synthesized and fully characterized by x-ray single crystal diffraction. In addition, initial investigations of their catalytic activity showed that they were efficient catalysts in the C-N coupling of primary and secondary amines with aryl chlorides at low catalyst loadings.

RSC Advances 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 C27H29N5, Category: pyrazoles-derivatives.

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

Rong, Deqin published the artcileStructure-Aided Design, Synthesis, and Biological Evaluation of Potent and Selective Non-Nucleoside Inhibitors Targeting Protein Arginine Methyltransferase 5, Application In Synthesis of 930-36-9, the publication is Journal of Medicinal Chemistry (2022), 65(11), 7854-7875, database is CAplus and MEDLINE.

PRMT5 is a major type II protein arginine methyltransferase and plays important roles in diverse cellular processes. Overexpression of PRMT5 is implicated in various types of cancer. Many efforts have been made to develop potent and selective PRMT5 inhibitors, the most potent of which is usually derived from nucleoside structures. Here, we designed a novel series of non-nucleoside PRMT5 inhibitors through the structure-aided drug design approach. SAR exploration and metabolic stability optimization led to the discovery of compound 41 as a potent PRMT5 inhibitor with good selectivity. Addnl., compound 41 exerted antiproliferative effects against A375 cells by inducing apoptosis and potently inhibited the methyltransferase activity of PRMT5 in cells. Moreover, it showed attractive pharmacokinetic properties and markedly suppressed the tumor growth in an A375 tumor xenograft model. These results clearly indicate that 41 is a highly potent and selective non-nucleoside PRMT5 inhibitor.

Journal of Medicinal Chemistry 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, Application In Synthesis of 930-36-9.

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

Wang, Peicheng published the artcileEffect of pyrazolium-derived compounds as templates in zeolite synthesis, Synthetic Route of 930-36-9, the publication is RSC Advances (2017), 7(38), 23272-23278, database is CAplus.

A series of diquaternary pyrazolium-derived organic templates (N,N’-dimethyl-N,N’-1,6-dihexylidenedipyrazolium, N,N’-diethyl-N,N’-1,6-dihexylidenedipyrazolium, N,N’-dipropyl-N,N’-1,6-dihexylidenedipyrazolium, denoted as 6C-DMP, 6C-DEP, 6C-DPP, resp.) with Me, Et and Pr groups substituted on the N atom of pyrazole ring at both terminals have been used in the synthesis of high silica MTW and MFI zeolites. Through combining the characterization results, including XRD, NMR, elemental anal., TG, XRF, FE-SEM, N₂ sorption and FE-TEM, with mol. mechanics simulations to explore the location, orientation and the interaction energies of the three templates, we confirmed the state of templates in zeolite framework, carefully characterized their morphol./structure properties, and finally investigated their different spatial effects for the zeolite formation. The study found that 6C-DMP and 6C-DEP are able to produce MTW, while 6C-DPP is able to produce MFI. 6C-DMP, owing to a good match with the MTW framework and can be used to synthesize regular MTW zeolite with few defects. The MTW zeolite prepared by using 6C-DEP as a template presents more defects and irregular macromorphol. due to a relatively poor match to the MTW framework. 6C-DPP can get MFI other than MTW due to a larger spatial hindrance, and it is located in the MFI framework with a special spatial orientation.

RSC Advances 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 C48H47FeP, Synthetic Route of 930-36-9.

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

Wu, Wenling published the artcileHierarchical architecture of two-dimensional Ti₃C₂ nanosheets@Metal-Organic framework derivatives as anode for hybrid li-ion capacitors, Application of 1-Methylpyrazole, the publication is Journal of Colloid and Interface Science (2022), 216-225, database is CAplus and MEDLINE.

Two-dimensional (2D) layered metal carbides materials called MXenes (e.g., Ti₃C₂) are significantly attentioned as electrode material for lithium-ion capacitors (LICs) because of its large surface-to-volume ratio and ultra-high electronic conductivity Whereas, as anode electrode material, the performance and application prospects of Ti₃C₂ are severely restricted to its lower theory. capacity. In this work, a straightforward and effective strategy to surmount the restrictions was developed to combine layered Ti₃C₂ nanosheets with dual Co/Zn metal-organic framework (MOF) polyhedrons derivatives through electrostatic assembly. Co₃O₄/ZnO polyhedrons could prevent the stacking of Ti₃C₂ nanosheets and provide prominent lithium storage capacity. Furthermore, the advanced structure of Ti₃C₂@Co₃O₄/ZnO as anode material could provide short Li⁺ paths, large electrolyte channels and excellent structural stability to enhance the electrochem. performance for LICs. As a result, the prepared Ti₃C₂@Co₃O₄/ZnO composite exhibited a specific capacity of 585.7 mAh/g at 0.1 A/g, and the electrode still delivered a capacity of 229 mAh/g at 2 A/g after 1000 cycles with 93% capacity retention in lithium-ion half cell. In addition, by assembling with activated carbon (AC) as cathode and Ti₃C₂@Co₃O₄/ZnO as anode, the LIC revealed an ultra-high energy d. of 196.8 Wh/kg at a power d. of 174.9 W/kg, and delivered a high energy output of 87.5 Wh/kg even at a power d. of 3500 W/kg. And its capacitance retention reaches 75% after 6000 cycles at 2 A/g. The advanced structure, handy preparation, and outstanding performance of layered carbon-based material Ti₃C₂@hollow polyhedrons composite might provide promising applications in LICs.

Journal of Colloid and Interface Science 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 C7H7ClN2S, Application of 1-Methylpyrazole.

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

Ma, Yuan published the artcileInsight on asym-Pyrazolium Ionic Liquids for Chemical Fixation of CO₂ and Propylene Epoxide into Propylene Carbonate without Organic Solvent and Metal, Related Products of pyrazoles-derivatives, the publication is Industrial & Engineering Chemistry Research (2018), 57(40), 13342-13352, database is CAplus.

From the perspective of environmental protection and resource utilization, the fixation of carbon dioxide (CO₂) is an interesting and meaningful topic. In this work, a series of asym-dialkylpyrazolium ionic liquids are synthesized by us to explore their catalytic activity for the cycloaddition of CO₂ and propylene epoxide to produce propylene carbonate (PC). They could be easily synthesized by a simple reaction, which is the premise for the large-scale application. The effect of alkyl chain length in cation on catalytic performance is investigated. Although asym-pyrazolium ILs present less catalytic activity than sym-pyrazolium ILs, the product yield catalyzed by EPPzBr is as high as 85% with PC selectivity of 99%, which is better than most of nonfunctionalized ionic liquids Moreover, the catalyst could be reused at least five times without significant loss of catalytic activity. To elucidate the structure-property relationship, the difference between asym-pyrazolium ILs and sym-pyrazolium ILs is discussed in detail by the Double-IL model associated with the noncovalent interactions and atoms in mol. anal. The kind of single-component catalysts for the fixation of CO₂ is further enriched.

Industrial & Engineering Chemistry Research 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

Zhu, Xinrui published the artcileOne-step preparation of ammonium-specified pyrazolium ionic liquids unveil the more popular pathway for the CO₂ fixation: Integrated experimental and theoretical studies, COA of Formula: C4H6N2, the publication is Journal of Molecular Liquids (2021), 115435, database is CAplus.

Amino-specified pyrazolium ionic liquid (APEPzBr) is synthesized by two steps. It is interesting that the product of the first step ([EPzPNH₃]Br₂) could also catalyze the coupling reaction of carbon dioxide and epoxides under 70°C along with 0.5 MPa CO₂ pressure, which is even more benign than APEPzBr. It is attributed to the strong ability of [EPzPNH₃]Br₂ to absorb CO2 along with robust electrophilic activation, which is testified by d. functional theory and ¹³C NMR measurement. The difference between [EPzPNH₃]Br₂ and APEPzBr is further elucidated by electron localization function (ELF) and atoms in mols. (AIM).

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 C19H42F6NP, COA of Formula: C4H6N2.

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