Methyl 1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: Methyl 1H-pyrazole-4-carboxylate
• CAS No.: 51105-90-9
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 2933199090
• European Community (EC) Number: 811-544-0
• Mol file: 51105-90-9.mol

Synonyms:Methyl 1H-pyrazole-4-carboxylate;51105-90-9;Methyl 4-pyrazolecarboxylate;1H-PYRAZOLE-4-CARBOXYLIC ACID, METHYL ESTER;MFCD00297363;4-methoxycarbonyl-1H-pyrazole;1H-pyrazole-4-carboxylic acid methyl ester;methyl pyrazole-4-carboxylate;4-carbomethoxypyrazole;4-(methoxycarbonyl)pyrazole;SCHEMBL420023;methyl 1H-pyrazol-4-carboxylate;AMY5535;VFTZKSMAJVLWOV-UHFFFAOYSA-N;BBL038232;STL412484;AKOS005167419;CS-W005446;METHYL 4-1H-PYRAZOLECARBOXYLATE;PB24659;AC-31841;SY011914;TS-01655;1H-Pyrazole-4-carboxylic acid,methyl ester;BB 0259302;FT-0655788;EN300-230930;PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER;A828440;F8882-9422;54866-59-0

Chemical Property of Methyl 1H-pyrazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 145-146℃
• Refractive Index: 1.53
• Boiling Point: 271.136 °C at 760 mmHg
• PKA: 11.59±0.50(Predicted)
• Flash Point: 117.779 °C
• PSA: 54.98000
• Density: 1.275 g/cm³
• LogP: 0.19630
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.042927438
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl1H-Pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CNN=C1
• Uses: Methyl 1H-Pyrazole-4-carboxylate is used to prepare aminomethylpiperidines as β3-agonists. It is also a possbile inhibitor of liver alcohol dehydrogenase.

Technology Process of Methyl 1H-pyrazole-4-carboxylate

There total 17 articles about Methyl 1H-pyrazole-4-carboxylate 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: 93.32%

methanol (67-56-1) + 1H-pyrazole-4-carboxylic acid (37718-11-9) → methyl pyrazole-4-carboxylate (51105-90-9,54866-59-0)

Guidance literature:

With sulfuric acid; at 0 - 80 ℃; for 16h;

Reference yield: 91.0%

methyl 1-trityl-1H-pyrazole-4-carboxylate (875554-08-8) → methyl pyrazole-4-carboxylate (51105-90-9,54866-59-0)

Guidance literature:

With hydrogenchloride; In methanol; dichloromethane; water; at 40 ℃; for 3h;

DOI:10.1021/ja204856a

Reference yield: 89.0%

sodium methylate (124-41-4) + 4-ureidocarbonylpyrazole (80981-23-3) → methyl pyrazole-4-carboxylate (51105-90-9,54866-59-0) + urea (57-13-6)

Guidance literature:

In methanol; for 2h; Heating;

upstream raw materials:

sodium methylate

4-ureidocarbonylpyrazole

1,3-Dimethyl-1-(1H-pyrazole-4-carbonyl)-urea

3-Ethyl-1-methyl-1-(1H-pyrazole-4-carbonyl)-urea

Downstream raw materials:

1-[4-(4-dimethoxymethyl-piperidine-1-sulfonyl)-phenyl]-1H-pyrazole-4-carboxylic acid methyl ester

1-(hydroxymethyl)-4-methoxycarbonyl-1H-pyrazole

methyl 6-(dibenzylamino)-5-methylnicotinate

methyl 6-phenylnicotinate

Refernces

• 1、 -. "CEREBLON BINDERS FOR THE DEGRADATION OF IKAROS". Page/Page column 318. . Retrieved 2019/10/23.
• 2、 -. "NOVEL FERROPORTIN INHIBITORS". Page/Page column 297; 298. . Retrieved 2017/05/10.