2-Chloro-1-(2-fluoro-5-methylphenyl)ethan-1-one

Base Information

• Chemical Name: 2-Chloro-1-(2-fluoro-5-methylphenyl)ethan-1-one
• CAS No.: 66122-32-5
• Molecular Formula: C₉H₈ClFO
• Molecular Weight: 186.613
• DSSTox Substance ID: DTXSID40574230
• Wikidata: Q82463209

Synonyms:2-chloro-1-(2-fluoro-5-methylphenyl)ethan-1-one;66122-32-5;DTXSID40574230;AKOS017518871;EN300-1968636

Chemical Property of 2-Chloro-1-(2-fluoro-5-methylphenyl)ethan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.55560
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.0247707
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)C(=O)CCl

Technology Process of 2-Chloro-1-(2-fluoro-5-methylphenyl)ethan-1-one

There total 1 articles about 2-Chloro-1-(2-fluoro-5-methylphenyl)ethan-1-one 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: 36.0%

p-fluorotoluene (352-32-9) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(2-fluoro-5-methyl-phenyl)-ethanone (66122-32-5)

Guidance literature:

With aluminium trichloride;

DOI:10.1016/j.bmc.2006.06.065

Reference yield: 46.0%

1,2,4-triazole-3-carboxylic acid (4928-87-4) + 2-chloro-1-(2-fluoro-5-methyl-phenyl)-ethanone (66122-32-5) → 1-[2-(2-fluoro-5-methyl-phenyl)-2-oxo-ethyl]-1H-[1,2,4]triazole-3-carboxylic acid (913237-90-8)

Guidance literature:

With triethylamine;

DOI:10.1016/j.bmc.2006.06.065

Reference yield: 43.0%

1,2,4-Triazole (288-88-0) + 2-chloro-1-(2-fluoro-5-methyl-phenyl)-ethanone (66122-32-5) → 1-(2-fluoro-5-methyl-phenyl)-2-[1,2,4]triazol-1-yl-ethanone (848951-33-7)

Guidance literature:

With triethylamine;

DOI:10.1016/j.bmc.2006.06.065

upstream raw materials:

p-fluorotoluene

chloroacetyl chloride

Downstream raw materials:

4-[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-ylamino]-benzenesulfonamide

4-[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-ylamino]-3-methyl-benzenesulfonamide

4-[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-ylamino]-2-methyl-benzenesulfonamide

2-[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-ylamino]-5-methyl-benzenesulfonamide

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