1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-(trifluoromethyl)- (9CI)

Base Information

• Chemical Name: 1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-(trifluoromethyl)- (9CI)
• CAS No.: 129768-24-7
• Molecular Formula: C6H4 Cl F3 N2 O
• Molecular Weight: 212.559
• Hs Code.: 2933199090
• Mol file: 129768-24-7.mol

Synonyms:1-Methyl-3-trifluoromethyl-1H-pyrazole-5-carbonylchloride

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

Chemical Property:

• PSA: 34.89000
• LogP: 1.81790

Purity/Quality:

98%min ^*data from raw suppliers

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 2 articles about 1H-Pyrazole-5-carbonyl chloride, 1-methyl-3-(trifluoromethyl)- (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:

1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid (128694-63-3) → 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride (129768-24-7)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/j.bmcl.2005.08.034

Reference yield:

1-methyl-3-trifluoromethylpyrazol (154471-65-5) → 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride (129768-24-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran / -78 °C

1.2: tetrahydrofuran

2.1: (COCl)2; DMF / CH₂Cl₂

With oxalyl dichloride; N,N-dimethyl-formamide; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2005.08.034

Reference yield: 78.0%

1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride (129768-24-7) + N-[6-(3-aminophenoxy)imidazo[1,2-b]pyridazine-2-yl]cyclopropanecarboxamide (1005777-50-3) → N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (1005780-64-2)

Guidance literature:

In N,N-dimethyl acetamide; at 20 ℃;

DOI:10.1016/j.bmc.2013.01.074

upstream raw materials:

1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid

1-methyl-3-trifluoromethylpyrazol

Downstream raw materials:

C₁₇H₁₈F₃N₃O₃S

1-methyl-3-(trifluoromethyl)-N-[4-(pyrrolidinylsulfonyl)phenyl]-1H-pyrazole-5-carboxamide

C₂₂H₂₈F₃N₅O₅S

C₁₉H₂₁F₃N₄O₅S

Refernces

• 1、 -. "PARAMYXOVIRUS FAMILY INHIBITORS AND METHODS OF USE THEREOF". Page/Page column 4; 11. . Retrieved 2011/07/08.
• 2、 -. "HARMFUL ORGANISM CONTROL COMPOSITION". Page/Page column 25. . Retrieved 2010/06/16.