3-TRIFLUOROMETHYLPHENACYLCHLORIDE

Base Information

• Chemical Name: 3-TRIFLUOROMETHYLPHENACYLCHLORIDE
• CAS No.: 439807-20-2
• Molecular Formula: C9H6ClF3O
• Molecular Weight: 222.594
• Mol file: 439807-20-2.mol

Synonyms:3-trifluoromethylphenyl chloromethyl ketone;3-TRIFLUOROMETHYLPHENACYLCHLORIDE;Ethanone,2-chloro-1-[3-(trifluoromethyl)phenyl];2-chloro-1-(3-trifluoromethylphenyl)ethanone;2-chloro-3'-trifluoromethylacetophenone;

Chemical Property of 3-TRIFLUOROMETHYLPHENACYLCHLORIDE

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 258.884oC at 760 mmHg
• Flash Point: 110.369oC
• PSA: 17.07000
• Density: 1.342g/cm3
• LogP: 3.12690

Purity/Quality:

99%min ^*data from raw suppliers

2-chloro-1-[3-(trifluoromethyl)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-TRIFLUOROMETHYLPHENACYLCHLORIDE

There total 3 articles about 3-TRIFLUOROMETHYLPHENACYLCHLORIDE 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%

3-trifluoromethylbenzoic acid methyl ester (2557-13-3) + chloroacetic acid (79-11-8) → 3-trifluoromethylphenyl chloromethyl ketone (439807-20-2)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -10 ℃; Flow reactor;

DOI:10.1002/anie.201810158

Reference yield: 42.0%

→ 3-trifluoromethylphenyl chloromethyl ketone (439807-20-2)

Guidance literature:

Reference yield:

3'-(trifluoromethyl)acetophenone (349-76-8) → 3-trifluoromethylphenyl chloromethyl ketone (439807-20-2)

Guidance literature:

3'-(trifluoromethyl)acetophenone; With N-chloro-succinimide; In acetonitrile;

With toluene-4-sulfonic acid; In acetonitrile; at 60 ℃; for 6h;

DOI:10.1002/adsc.201800267

upstream raw materials:

3'-(trifluoromethyl)acetophenone

3-trifluoromethylbenzoic acid methyl ester

chloroacetic acid

Downstream raw materials:

4-(3-trifluoromethylphenyl)-1,3-thiazol-2-amine

(2-hydroxy-2-pyridin-3-yl-ethyl)-[2-(4-{4-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonylamino}-phenyl)-ethyl]-carbamic acid tert-butyl ester

Refernces

• 1、 Ganiek, Maximilian A.,Ivanova, Maria V.,Martin, Benjamin,Knochel, Paul. "Mild Homologation of Esters through Continuous Flow Chloroacetate Claisen Reactions". supporting information. p. 17249 - 17253. Retrieved 2018/12/05.