Ethanone, 2,2-difluoro-1-(3-methylphenyl)- (9CI)

Base Information

• Chemical Name: Ethanone, 2,2-difluoro-1-(3-methylphenyl)- (9CI)
• CAS No.: 50562-05-5
• Molecular Formula: C9H8F2O
• Molecular Weight: 170.159
• Mol file: 50562-05-5.mol

Synonyms:Ethanone, 2,2-difluoro-1-(3-methylphenyl)- (9CI)

Chemical Property of Ethanone, 2,2-difluoro-1-(3-methylphenyl)- (9CI)

Chemical Property:

• PSA: 17.07000
• LogP: 2.44280

Purity/Quality:

99% ^*data from raw suppliers

2,2-Difluoro-1-m-tolyl-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Ethanone, 2,2-difluoro-1-(3-methylphenyl)- (9CI)

There total 7 articles about Ethanone, 2,2-difluoro-1-(3-methylphenyl)- (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: 76.0%

2,2-difluoro-2-(phenylsulfanyl)-1-(m-tolyl)ethanone → 2,2-difluoro-1-(3-methylphenyl)ethan-1-one (50562-05-5)

Guidance literature:

With hydrogen; In ethanol; at 70 ℃;

DOI:10.1002/ejoc.201701322

Reference yield: 70.0%

4,4,4-trifluoro-1-(3-methylbenzene)butane-1,3-dione (53764-99-1) → 2,2-difluoro-1-(3-methylphenyl)ethan-1-one (50562-05-5)

Guidance literature:

4,4,4-trifluoro-1-(3-methylbenzene)butane-1,3-dione; With Selectfluor; In acetonitrile; at 90 ℃; for 3h; Inert atmosphere;

With water; In acetonitrile; for 0.25h; Inert atmosphere; Reflux;

With triethylamine; In acetonitrile; at 20 ℃; for 16h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c5ob02468d

Reference yield: 67.0%

m-tolylboronic acid (17933-03-8) + C15H13F2NO3S → 2,2-difluoro-1-(3-methylphenyl)ethan-1-one (50562-05-5)

Guidance literature:

With tri-tert-butyl phosphine; palladium diacetate; potassium carbonate; In 1,4-dioxane; at 50 ℃; for 24h; Inert atmosphere;

upstream raw materials:

4,4,4-trifluoro-1-(3-methylbenzene)butane-1,3-dione

3-Methylacetophenone

ethyl difluoroacetate

meta-bromotoluene

Downstream raw materials:

1-(m-Tolyl)-2,2-difluorethanol

Refernces

• 1、 -. "N-phenyl-N-p-toluenesulfonyl difluoroacetamide and application thereof". Paragraph 0045-0048. . Retrieved 2019/07/29.
• 2、 Phetcharawetch, Jongkonporn,Betterley, Nolan M.,Soorukram, Darunee,Pohmakotr, Manat,Reutrakul, Vichai,Kuhakarn, Chutima. "Synthesis of Difluoromethyl Ketones from Weinreb Amides, and Tandem Addition/Cyclization of o-Alkynylaryl Weinreb Amides". supporting information. p. 6840 - 6850. Retrieved 2017/12/26.