5-Pyrazolecarboxylic acid

Base Information

• Chemical Name: 5-Pyrazolecarboxylic acid
• CAS No.: 1621-91-6
• Molecular Formula: C4H4N2O2
• Molecular Weight: 112.088
• Hs Code.: 29331990
• Mol file: 1621-91-6.mol

Synonyms:Pyrazole-3-carboxylic acid (8CI);1H-Pyrazole-5-carboxylic acid;Pyrazole-3(5)-carboxylic acid;Pyrazole-3-carboxylic acid;1H-pyrazole-3-carboxylic acid;

Chemical Property of 5-Pyrazolecarboxylic acid

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Melting Point: 211 °C
• Refractive Index: 1.616
• Boiling Point: 417.1 °C at 760 mmHg
• PKA: 3.98±0.10(Predicted)
• Flash Point: 206.1 °C
• PSA: 65.98000
• Density: 1.524 g/cm³
• LogP: 0.10790
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol

Purity/Quality:

99% ^*data from raw suppliers

1H-Pyrazole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1H-pyrazole-3-carboxylic Acid is a histone lysine demethylase KDM4C and proline racemase inhibitor.

Technology Process of 5-Pyrazolecarboxylic acid

There total 25 articles about 5-Pyrazolecarboxylic 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: 100.0%

3-Methylpyrazole (1453-58-3) → 1H-pyrazole-3-carboxylic acid (1621-91-6,797027-83-9)

Guidance literature:

With potassium permanganate; for 4h; Heating;

DOI:10.1021/ja001089b

Reference yield: 70.0%

1-(1H-pyrazol-3-yl)ethanone hydrazone → 1H-pyrazole-3-carboxylic acid (1621-91-6,797027-83-9)

Guidance literature:

With potassium permanganate; In water; at 85 - 90 ℃; for 2h;

DOI:10.1134/S1070428010010124

Reference yield: 69.0%

2-(1H-pyrazol-3-yl)acetohydrazide (144677-14-5) → 1H-pyrazole-3-carboxylic acid (1621-91-6,797027-83-9)

Guidance literature:

With potassium permanganate; In water; at 85 - 90 ℃; for 2h;

DOI:10.1134/S1070428008080174

upstream raw materials:

diazomethane

acrylic acid methyl ester

NH-pyrazole

diethyl ether

Downstream raw materials:

methyl 1H-pyrazole 3-carboxylate

ethyl 1H-pyrazole-3-carboxylate

4H,9H-Dipyrazolo<1,5-a:1',5'-d>pyrazin-4,9-dion

1⁽²⁾H-pyrazole-3-carboxylic acid butyl ester

Refernces

• 1、 Smolyar. "Transformations of 3-nitropyridin-4(1H)-one and 1-Methyl-3-nitropyridin- 4(1H)-one in reaction with hydrazine". . p. 122 - 125. Retrieved 2010.
• 2、 Janssen, Antonius P.A.,Van Hengst, Jacob M.A.,Béquignon, Olivier J.M.,Deng, Hui,Van Westen, Gerard J.P.,Van Der Stelt, Mario. "Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors". . p. 7910 - 7922. Retrieved 2019/10/11.
• 3、 Magalh?es, Joana,Franko, Nina,Annunziato, Giannamaria,Welch, Martin,Dolan, Stephen K.,Bruno, Agostino,Mozzarelli, Andrea,Armao, Stefano,Jirgensons, Aigars,Pieroni, Marco,Costantino, Gabriele,Campanini, Barbara. "Discovery of novel fragments inhibiting O-acetylserine sulphhydrylase by combining scaffold hopping and ligand–based drug design". . p. 1444 - 1452. Retrieved 2018/09/25.