4-(Trifluoromethyl)phenylacetyl chloride

Base Information

• Chemical Name: 4-(Trifluoromethyl)phenylacetyl chloride
• CAS No.: 74426-51-0
• Molecular Formula: C9H6ClF3O
• Molecular Weight: 222.594
• Hs Code.: 2916399090
• European Community (EC) Number: 829-034-1
• DSSTox Substance ID: DTXSID30564286
• Nikkaji Number: J2.015.750J
• Wikidata: Q82448948
• Mol file: 74426-51-0.mol

Synonyms:4-(Trifluoromethyl)phenylacetyl chloride;74426-51-0;2-[4-(trifluoromethyl)phenyl]acetyl chloride;Benzeneacetyl chloride, 4-(trifluoromethyl)-;[4-(Trifluoromethyl)phenyl]acetyl chloride;2-(4-(Trifluoromethyl)phenyl)acetyl chloride;MFCD08458136;SCHEMBL558914;DTXSID30564286;ZCA42651;4-trifluoromethylphenylacetyl chloride;4-trifluoromethylphenyl acetyl chloride;AKOS011394710;4-trifluoromethyl-phenyl acetyl chloride;(4-trifluoromethylphenyl)-acetyl chloride;PS-10924;4-(Trifluoromethyl-phenyl)-acetyl chloride;2-(4-(Trifluoromethyl)phenyl)acetylchloride;E73948;EN300-249750;4-(trifluoromethyl)phenylacetyl chloride, AldrichCPR

Chemical Property of 4-(Trifluoromethyl)phenylacetyl chloride

Chemical Property:

• Boiling Point: 230.6±40.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.355±0.06 g/cm3(Predicted)
• LogP: 3.01330
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.0059270
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethyl)phenylacetylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)Cl)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)phenylacetyl chloride

There total 2 articles about 4-(Trifluoromethyl)phenylacetyl 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: 100.0%

4-Trifluoromethylphenylacetic acid (32857-62-8) → 4-(trifluoromethyl)phenylacetyl chloride (74426-51-0)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 23 ℃;

DOI:10.1016/j.bmcl.2007.02.049

Reference yield:

→ 4-(trifluoromethyl)phenylacetyl chloride (74426-51-0)

Guidance literature:

Reference yield: 83.0%

tert-butyl N-[[(2S,3R)-10-amino-5-[(1 S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamate + 4-(trifluoromethyl)phenylacetyl chloride (74426-51-0) → tert-butyl N-[ [(2S,3R)-5-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-ethyl]-3-methyl-6-oxo-10-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-carbamate

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

4-Trifluoromethylphenylacetic acid

Downstream raw materials:

(4-Trifluoromethyl-phenyl)-acetic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester

ZT 52656A

(2S)-1-[[4-trifluoromethyl-phenyl]acetyl]-2-[(1-pyrrolidinyl)methyl]piperidine

1-(1-Pyrrolidin-1-ylmethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-trifluoromethyl-phenyl)-ethanone