4-Methyl-1H-pyrazole-1-carboxylic acid 1,1-dimethylethyl ester

Base Information

• Chemical Name: 4-Methyl-1H-pyrazole-1-carboxylic acid 1,1-dimethylethyl ester
• CAS No.: 121669-69-0
• Molecular Formula: C9H14N2O2
• Molecular Weight: 182.22000
• Hs Code.: 2933199090
• Mol file: 121669-69-0.mol

Synonyms:4-methyl-pyrazole-1-carboxylic acid tert-butyl ester;4-methylpyrazole-1-carboxylic acid tert-butyl ester;

Chemical Property of 4-Methyl-1H-pyrazole-1-carboxylic acid 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 255℃
• Flash Point: 108℃
• PSA: 44.12000
• Density: 1.07
• LogP: 1.97470

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-methyl-1H-pyrazole-1-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Methyl-1H-pyrazole-1-carboxylic acid 1,1-dimethylethyl ester

There total 2 articles about 4-Methyl-1H-pyrazole-1-carboxylic acid 1,1-dimethylethyl ester 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%

4-methyl-1H-pyrazole (7554-65-6) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 4-methyl-1H-pyrazole-1-carboxylate (121669-69-0)

Guidance literature:

With dmap; In acetonitrile; for 1h;

Reference yield:

→ tert-butyl 4-methyl-1H-pyrazole-1-carboxylate (121669-69-0)

Guidance literature:

With dmap; In acetonitrile; at 0 - 20 ℃; for 2h;

Reference yield: 43.0%

N-Bromosuccinimide (128-08-5) + tert-butyl 4-methyl-1H-pyrazole-1-carboxylate (121669-69-0) → tert-butyl 4-(bromomethyl)-1H-pyrazole-1-carboxylate (530144-72-0)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 70 ℃; for 18h; Reflux;

upstream raw materials:

4-methyl-1H-pyrazole

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl 4-(bromomethyl)-1H-pyrazole-1-carboxylate

Refernces

• 1、 -. "PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS". Page/Page column 192; 193. . Retrieved 2017/05/10.
• 2、 -. "NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME". Paragraph 0309; 0310; 0311; 0319; 0320; 0321; 0322. . Retrieved 2014/12/09.