179057-12-6

Basic information

• Product Name: Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate
• Synonyms: Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate;methyl 4-(2-methylpyrazol-3-yl)benzoate
• CAS NO: 179057-12-6
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24
• Mol File: 179057-12-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 357.507°C at 760 mmHg
• Flash Point: 170.015°C
• Appearance: /
• Density: 1.16
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.576
• PKA: 1.50±0.10(Predicted)
• CAS DataBase Reference: Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate(179057-12-6)
• EPA Substance Registry System: Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate(179057-12-6)

Safety Data

• Hazardous Substances Data: 179057-12-6(Hazardous Substances Data)

Usage

General Description

Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate is a chemical compound that belongs to the class of organic substances known as benzoic acid esters. These are ester derivatives of benzoic acid. Its systematic name is Methyl 4-(1-methyl-1H-pyrazol-5-yl)benzoate. It has the molecular formula of C12H12N2O2. In this molecule, a benzoate ester is combined with a 1-methyl-1H-pyrazole unit. Its specific structure involves a pyrazole ring, which is a type of unsaturated, five-membered ring with two nitrogen atoms. It has yet to have widespread applications and its detailed properties and potential uses are areas for further exploration in chemistry.

InChI:InChI=1/C12H12N2O2/c1-14-11(7-8-13-14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3

Upstream product

• 619-42-1 4-methoxycarbonylphenyl bromide 
• 847818-74-0 1-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
• 930-36-9 1-methyl-1H-pyrazole 
• 38430-55-6 ethyl-4-acetylbenzoate 
• 60-34-4 methylhydrazine 
• 114431-72-0 (E)-methyl 4-(3-(dimethylamino)acryloyl)benzoate 

Downstream Products

• 179055-18-6 4-(2-methyl-2H-pyrazol-3-yl)benzyl alcohol 
• 1189977-24-9 4-(1-methyl-1H-pyrazol-5-yl)benzoic acid 
• 179056-68-9 Benzyl-[4-(2-methyl-2H-pyrazol-3-yl)-benzyl]-amine 
• 179055-67-5 Cycloheptyl-[4-(2-methyl-2H-pyrazol-3-yl)-benzyl]-amine 
• 179055-28-8 4-(1-methylpyrazol-5-yl)benzaldehyde 

Relevant articles and documents

Phenotypic Screening-Based Identification of 3,4-Disubstituted Piperidine Derivatives as Macrophage M2 Polarization Modulators: An Opportunity for Treating Multiple Sclerosis

Multiple sclerosis (MS) is a disease of the autoimmune-mediated disorder in the central nervous system, for which no effective therapeutic agent is currently available. The regulation of macrophage polarization toward M2 is a general benefit for treating MS. The gene biomarker-based phenotypic screening approach was developed, and 3,4-disubstituted piperidine derivative S-28 was identified as a lead compound modulating macrophage M2 polarization. Further SAR studies resulted in the discovery of the most potent modulator D11 that showed good oral bioavailability and significant in vivo therapeutic effects. Mechanistic studies demonstrated that the M2 polarization macrophages modulated by D11 mainly functioned through inhibiting the proliferation of T-cells and activating the phosphorylation of Stat3 and Akt. Therefore, the gene biomarker-based phenotypic screening was demonstrated as a promising tool for the discovery of novel macrophage M2 polarization modulators. Compound D11 may serve as a promising starting point for the development of therapeutics to treat MS.

SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OF ANTITUMOR THEREOF

Disclosed are new substituted nitrogen-containing heterocyclic derivatives represented by formula (I) as AKT inhibitors, optical isomers, pharmaceutically acceptable salts or solvates thereof, wherein the definition of R1, R2, R3, R4, R5, R6, ring A, ring

Pd-catalysed direct 5-arylation of 1-methylpyrazole with aryl bromides

1-Methylpyrazole was found to be a suitable partner for palladium-catalysed direct arylation through C-H activation/functionalisation using aryl bromides. The reaction conditions and the nature of the catalyst were found to have a determining influence on