1125-29-7

Basic information

• Product Name: 1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
• Synonyms: ART-CHEM-BB B006363;1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;AKOS B006363;AKOS PAO-0337;RARECHEM AL BE 0403;1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid, 95+%;1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE);1,3,5-triMethyl-1H-pyrazol-4-carboxylic acid
• CAS NO: 1125-29-7
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.17
• Mol File: 1125-29-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: 215-217°C
• Boiling Point: 297.6 °C at 760 mmHg
• Flash Point: 133.8 °C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 0.0006mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: Refrigerator, under inert atmosphere
• PKA: 3.73±0.10(Predicted)
• CAS DataBase Reference: 1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(1125-29-7)
• EPA Substance Registry System: 1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(1125-29-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 1125-29-7(Hazardous Substances Data)

Usage

Chemical Properties

White powder

InChI:InChI=1/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)

Upstream product

• 2644-93-1 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde 
• 1072-91-9 1,3,5-trimethyl-1H-pyrazole 
• 98298-63-6 1,3,5-trimethylpyrazole-4-carboxylic acid chloride 
• 15801-69-1 4-bromo-1,3,5-trimethylpyrazole 

Downstream Products

• 637336-32-4 1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide 
• 98298-63-6 1,3,5-trimethylpyrazole-4-carboxylic acid chloride 

Relevant articles and documents

Electrosynthesis of pyrazole-4-carboxylic acids by oxidation of 4-formylpyrazoles on NiO(OH)-electrode in aqueous alkaline solution

Electrochemical oxidation of di- and trisubstituted 4-formylpyrazoles on a Ni-anode in aqueous alkali led to the formation of the corresponding pyrazole-4-carboxylic acid in 60-90% yields. The yields of the target products depend on position of substituent in the pyrazole ring and are decreased in the following sequence of substituent at position 1 Me > Et > Ph, as well as when the aqueous medium was replaced with aqueous alcohol (50% Bu tOH). Oxidation of 4-formylpyrazoles containing Me groups at the carbon atoms of the pyrazole ring led, to monoacids and also pyrazoledicarboxylic acids in small (1.5-14%) amounts; the latter were the oxidation products of the aldehyde and the Me groups.

The Direct Carboxylation of Pyrazoles

Various pyrazole-4-carboxylic acids 4 were obtained by a direct carboxylation reaction of pyrazoles 1 with excess, oxalyl chloride.