1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-ethyl- (9CI)

Base Information

• Chemical Name: 1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-ethyl- (9CI)
• CAS No.: 167889-79-4
• Molecular Formula: C10H15ClN2O
• Molecular Weight: 214.695
• Mol file: 167889-79-4.mol

Synonyms:1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-ethyl- (9CI)

Chemical Property of 1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-ethyl- (9CI)

Chemical Property:

• Boiling Point: 292.0±28.0 °C(Predicted)
• PKA: 0.40±0.10(Predicted)
• PSA: 34.89000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 2.57950

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-ethyl- (9CI)

There total 1 articles about 1H-Pyrazole-5-carbonyl chloride, 3-(1,1-dimethylethyl)-1-ethyl- (9CI) 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: 84.0%

3-(1,1-dimethylethyl)-1-ethyl-1H-pyrazole-5-carboxylic acid (195447-83-7) → 1-ethyl-3-tert-butyl-4-H-pyrazole chloride (167889-79-4)

Guidance literature:

With thionyl chloride; for 5 - 6h; Product distribution / selectivity; Heating / reflux;

Reference yield: 87.0%

1-ethyl-3-tert-butyl-4-H-pyrazole chloride (167889-79-4) + N-hydroxy-2,6-difluorobenzimidamide (296766-98-8) → C17H18F2N4O

Guidance literature:

With triethylamine; In toluene; at 20 ℃; for 9h; Heating;

Reference yield: 81.0%

3-aminobenzoic acid ethyl ester (582-33-2) + 1-ethyl-3-tert-butyl-4-H-pyrazole chloride (167889-79-4) → ethyl 3-[[[3-(1,1-dimethylethyl)-1-ethyl-1H-pyrazol-5-yl]-carbonyl]amino]benzoate

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; Acidic aqueous solution;

upstream raw materials:

3-(1,1-dimethylethyl)-1-ethyl-1H-pyrazole-5-carboxylic acid

Downstream raw materials:

2-(5-tert-butyl-2-ethyl-2H-pyrazol-3-yl)-7-methyl-5-(2-trifluoromethylphenyl)-1H-benzimidazole