1-Methyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 25016-20-0
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 2933199090
• Mol file: 25016-20-0.mol

Synonyms:Pyrazole-3-carboxylicacid, 1-methyl- (8CI);1-Methylpyrazole-3-carboxylic acid;

Chemical Property of 1-Methyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000326mmHg at 25°C
• Melting Point: 150-152 oC
• Refractive Index: 1.59
• Boiling Point: 306.9 °C at 760 mmHg
• PKA: 4.05±0.10(Predicted)
• Flash Point: 139.4 °C
• PSA: 55.12000
• Density: 1.34 g/cm³
• LogP: 0.11830
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-pyrazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Methyl-1H-pyrazole-3-carboxylic acid

There total 3 articles about 1-Methyl-1H-pyrazole-3-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

methyl ester of 1-methylpyrazole-3-carboxylic acid (17827-61-1) → 1-methylpyrazole-3-carboxylic acid (25016-20-0)

Guidance literature:

With lithium hydrochloride monohydrate; In tetrahydrofuran; methanol; water; at 0 - 30 ℃; for 3h;

Reference yield: 39.5%

1H-pyrazole-3-carboxylic acid (1621-91-6,797027-83-9) + dimethyl sulfate (77-78-1) → 1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) + 1-methylpyrazole-3-carboxylic acid (25016-20-0)

Guidance literature:

With sodium hydroxide; at 80 - 85 ℃; for 2h;

Reference yield:

1-2H-pyrazole-3-carboxylic acid (1621-91-6) + dimethyl sulfate (77-78-1) → 1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) + 1-methylpyrazole-3-carboxylic acid (25016-20-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/j.bmcl.2006.11.087

upstream raw materials:

1H-pyrazole-3-carboxylic acid

dimethyl sulfate

methyl ester of 1-methylpyrazole-3-carboxylic acid

1-2H-pyrazole-3-carboxylic acid

Downstream raw materials:

methyl ester of 1-methylpyrazole-3-carboxylic acid

4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid

N-methoxy-N,1-dimethyl-1H-pyrazole-3-carboxamide

Refernces

• 1、 -. "ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS". Page/Page column 90; 91. . Retrieved 2015/02/25.
• 2、 -. "4-[(4-(CARBOXYETHYL) PIPERIDINYL) METHYL] PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY". Page 30-31; 24. . Retrieved 2010/02/07.