25016-17-5

Basic information

• Product Name: 5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
• Synonyms: METHYL 5-METHYL-1H-PYRAZOLE-3-CARBOXYLATE;ART-CHEM-BB B024667;AKOS B024667;AKOS 91346;5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER;Methyl 5-Methylpyrazole-3-carboxylate;1H-Pyrazole-3-carboxylic acid, 5-Methyl-, Methyl ester;1H-Pyrazole-5-carboxylic acid, 3-Methyl-, Methyl ester
• CAS NO: 25016-17-5
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.14
• Mol File: 25016-17-5.mol
• Article Data: 14

Chemical Properties

• Melting Point: 82-84°
• Boiling Point: 289.3 °C at 760 mmHg
• Flash Point: 128.8 °C
• Appearance: /
• Density: 1.217 g/cm³
• Vapor Pressure: 0.00222mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: soluble in Methanol
• PKA: 11.60±0.10(Predicted)
• CAS DataBase Reference: 5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER(25016-17-5)
• EPA Substance Registry System: 5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER(25016-17-5)

Safety Data

• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 25016-17-5(Hazardous Substances Data)

Usage

General Description

5-Methyl-1H-pyrazole-3-carboxylic acid methyl ester is a chemical compound with the molecular formula C6H8N2O2. It is a methyl ester derivative of 5-methyl-1H-pyrazole-3-carboxylic acid, and it is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. This chemical compound is also known for its potential applications in the field of organic synthesis and medicinal chemistry. It has a wide range of chemical and biological activities, making it a valuable reagent in the development of new compounds for drug discovery and other research purposes.

InChI:InChI=1/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)

Upstream product

• 20577-61-1 methyl 2,4-dioxopentanoate 
• 75-89-8 2,2,2-trifluoroethanol 
• 135351-18-7 1,1,1-trichloro-4-methoxy-3-penten-2-one 
• 124-41-4 sodium methylate 
• 95-92-1 oxalic acid diethyl ester 
• 67-64-1 acetone 
• 67-56-1 methanol 
• 402-61-9 5-methyl-1H-pyrazole-3-carboxylic acid 
• 5699-58-1 2,4-dioxo-pentanoic acid 
• 154196-51-7 3-tert-Butyl-3-methyl-3H-pyrazole-5-carboxylic acid methyl ester 
• 154196-67-5 2-methoxy-2,5-dimethyl-5-(1,1-diphenylmethyl)-Δ³-1,3,4-oxadiazoline 
• 922-67-8 propynoic acid methyl ester 

Downstream Products

• 79507-99-6 1-{[(Z)-Allylimino]-phenyl-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36638-97-8 1-(2-chloro-N-phenyl-benzimidoyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36638-93-4 1-(N-butyl-benzimidoyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36640-70-7 1-(N-ethylbenzimidoyl)-3-carbomethoxy-5-methylpyrazole 
• 36638-98-9 5-methyl-1-(2-methyl-N-phenyl-benzimidoyl)-1H-pyrazole-3-carboxylic acid methyl ester 
• 36638-96-7 1-(2-methoxy-N-phenyl-benzimidoyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 79508-03-5 1-{[(Z)-2,3-Dimethyl-phenylimino]-phenyl-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36640-75-2 5-methyl-1-(N-propyl-benzimidoyl)-1H-pyrazole-3-carboxylic acid methyl ester 
• 79508-06-8 1-{[(Z)-2-Methoxy-phenylimino]-phenyl-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 79508-07-9 1-{[(Z)-3-Methoxy-phenylimino]-phenyl-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36664-31-0 1-(3,4-dichloro-N-phenyl-benzimidoyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36640-77-4 1-(N-isobutyl-4-methyl-benzimidoyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 
• 36638-94-5 5-methyl-1-[N-(3-methyl-butyl)-benzimidoyl]-1H-pyrazole-3-carboxylic acid methyl ester 
• 36638-92-3 1-(4-fluoro-N-isobutyl-benzimidoyl)-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester 

Relevant articles and documents

Synthesis of 2,2,2-trifluoroethyl 1H-pyrazole carboxylates: Insight into the mechanism of trichloromethyl group hydrolysis

This paper reports one-pot synthesis of 2,2,2-trifluoroethyl 1H-pyrazole-5(3)-carboxylates via cyclocondensation of 1,1,1-trichloro-4-alkoxy-3-alken-2-ones [Cl3CC(O)C(R2) = C(R1)OMe, where R1 = H, CH3

Benzoxadiazepine tetradecene derivative and application thereof

The invention discloses a benzoxadiazepine tetradecene derivative and application thereof, belonging to the field of medicines. The benzoxadiazepine tetradecene derivative with a structure as shown ina general formula (I) has excellent anaplastic lymphoma enzyme (ALK) inhibition activity and excellent pharmacodynamic performance, and can obviously prolong the large metabolic half-life period of adrug; the derivative can be safely and effectively used for treating anaplastic lymphoma kinase positive (ALK+) metastatic (advanced) non-small cell lung cancer (NSCLC) and the like, thereby providing a new means for treating cancers, metabolic and immune diseases, cardiovascular diseases, neurological diseases and the like.

A 3 - methyl -5 - pyrazole carboxylic acid dimethyl ester chemical synthesis method

The invention relates to a chemical synthesis method of methyl 3-methyl-5-pyrazolylformate.3-methylpyrazole used as the raw material is subjected to reactive hydrogen protection, carboxylation, esterification and deprotection to prepare the methyl 3-methy