2'-Chloro-4'-fluoro-5'-methylacetophenone

Base Information

• Chemical Name: 2'-Chloro-4'-fluoro-5'-methylacetophenone
• CAS No.: 181827-49-6
• Molecular Formula: C₉H₈ClFO
• Molecular Weight: 186.613
• DSSTox Substance ID: DTXSID201257838
• Nikkaji Number: J758.149A
• Mol file: 181827-49-6.mol

Synonyms:2'-Chloro-4'-fluoro-5'-methylacetophenone;181827-49-6;SCHEMBL19433388;DTXSID201257838;AKOS019615273;1-(2-Chloro-4-fluoro-5-methylphenyl)ethanone

Chemical Property of 2'-Chloro-4'-fluoro-5'-methylacetophenone

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.0247707
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

95% ^*data from raw suppliers

1-(2-Chloro-4-fluoro-5-methyl-phenyl)-ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)Cl)C(=O)C

Technology Process of 2'-Chloro-4'-fluoro-5'-methylacetophenone

There total 1 articles about 2'-Chloro-4'-fluoro-5'-methylacetophenone 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: 96.0%

4-chloro-2-fluorotoluene (452-75-5) + acetyl chloride (75-36-5) → 1-(2-chloro-4-fluoro-5-methylphenyl)ethan-1-one (181827-49-6)

Guidance literature:

With aluminium trichloride; In carbon disulfide; for 18h; Heating;

DOI:10.1055/s-1996-4344

Reference yield: 92.0%

1-(2-chloro-4-fluoro-5-methylphenyl)ethan-1-one (181827-49-6) → 1-(4-fluoro-3-methylphenyl)ethanone (369-32-4)

Guidance literature:

With potassium hydroxide; hydrogen; Aliquat 336; palladium on activated charcoal; In 2,2,4-trimethylpentane; at 50 ℃; for 1.5h; under 760 Torr;

DOI:10.1055/s-1996-4344

Reference yield:

1-(2-chloro-4-fluoro-5-methylphenyl)ethan-1-one (181827-49-6) → 1-(4-fluoro-3-methylphenyl)ethan-1-ol

Guidance literature:

With potassium hydroxide; hydrogen; Aliquat 336; platinum on activated charcoal; In 2,2,4-trimethylpentane; at 50 ℃; for 6h;

DOI:10.1021/jo971957w

upstream raw materials:

4-chloro-2-fluorotoluene

acetyl chloride

Downstream raw materials:

1-(4-fluoro-3-methylphenyl)ethanone

Refernces

• 1、 Bomben, Andrea,Marques, Carlos A.,Selva, Maurizio,Tundo, Pietro. "Synthesis of substituted phenyl ketones via Pd-catalysed hydrodechlorination of their polychlorinated derivatives". . p. 1109 - 1114. Retrieved 2007/10/03.