3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride

Base Information

• Chemical Name: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride
• CAS No.: 141573-96-8
• Molecular Formula: C6H5ClF2N2O
• Molecular Weight: 194.568
• European Community (EC) Number: 619-511-0
• DSSTox Substance ID: DTXSID70571737
• Nikkaji Number: J3.495.160H
• Wikidata: Q82459901

Synonyms:141573-96-8;3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride;3-(DIFLUOROMETHYL)-1-METHYLPYRAZOLE-4-CARBONYL CHLORIDE;1H-Pyrazole-4-carbonyl chloride, 3-(difluoromethyl)-1-methyl-;EC 619-511-0;SCHEMBL439674;1-Methyl-3-difluoromethyl-1H-pyrazole-4-carbonyl chloride;DTXSID70571737;3-(difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chloride;NS00004241;1-methyl-3-difluoromethylpyrazole-4-carbonyl chloride;3-(difluoromethyl)-1-methyl-pyrazole-4-carbonyl chloride;1-methyl-3-difluoromethylpyrazol-4-carboxylic acid chloride;3-(difluoromethyl)-1-methyl-1H-pyrazol-4-carbonyl chloride;3-difluoromethyl-1-methyl-1H-pyrazole-4-carbonyl chloride

Chemical Property of 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.00482mmHg at 25°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.0058468
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C(F)F)C(=O)Cl

Technology Process of 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride

There total 19 articles about 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride 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: 99.0%

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (176969-34-9) → 3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride (141573-96-8)

Guidance literature:

With thionyl chloride; for 3h; Reflux;

Reference yield: 95.0%

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde (1094484-55-5) → 3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride (141573-96-8)

Guidance literature:

With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile); In chlorobenzene; at 70 - 80 ℃; for 6h;

Reference yield: 94.0%

3-difluoromethyl-4-trichloromethyl-1-methylpyrazole → 3‐difluoromethyl‐1‐methylpyrazole-4-carbonyl chloride (141573-96-8)

Guidance literature:

With iron(III) chloride; water; at 60 ℃; Reagent/catalyst;

upstream raw materials:

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde

1-methyl-3-difluoromethyl-5-hydroxy-1H-pyrazole

(E/Z)-ethyl 2-(ethoxymethylene)-4,4-difluoro-3-oxobutanoate

Downstream raw materials:

bixafen

3-difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid N-(4'-trifluoromethylbiphenyl-2-yl)-amide

3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid [2-(2,6-dimethyl-phenoxy)-1-methyl-ethyl]amide

3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid [2-(4-bromo-2,6-dimethyl-phenoxy)-1-methyl-ethyl]amide

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