N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide

Base Information

• Chemical Name: N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide
• CAS No.: 114973-35-2
• Molecular Formula: C9H6F5NO
• Molecular Weight: 239.145
• DSSTox Substance ID: DTXSID20556630
• Wikidata: Q82438249
• Mol file: 114973-35-2.mol

Synonyms:N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide;N-[2,5-Difluoro-4-(trifluoromethyl)phenyl]acetamide;114973-35-2;SCHEMBL9728167;DTXSID20556630

Chemical Property of N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 239.03695463
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C(=C1)F)C(F)(F)F)F

Technology Process of N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide

There total 5 articles about N-(2,5-difluoro-4-(trifluoromethyl)phenyl)acetamide 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: 74.0%

N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)acetamide → N-<2,5-difluoro-4-(trifluoromethyl)phenyl>acetamide (114973-35-2)

Guidance literature:

With fac-tris[2-phenylpyridinato-C²,N]iridium(III); N-ethyl-N,N-diisopropylamine; In acetonitrile; at 45 ℃; for 12h; regioselective reaction; Inert atmosphere; Irradiation;

DOI:10.1021/jacs.7b06847

Reference yield: 33.0%

(2,5-difluorophenyl)acetanilide (398-90-3) + trifluoroacetic acid (76-05-1) → N-<2,5-difluoro-3-(trifluoromethyl)phenyl>acetamide (1994-23-6) + N-<2,5-difluoro-4-(trifluoromethyl)phenyl>acetamide (114973-35-2) + N-<3,6-difluoro-2-(trifluoromethyl)phenyl>acetamide (115591-68-9)

Guidance literature:

With xenon difluoride; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jo00254a033

Reference yield:

(2,5-difluorophenyl)acetanilide (398-90-3) → N-<2,5-difluoro-4-(trifluoromethyl)phenyl>acetamide (114973-35-2)

Guidance literature:

With xenon difluoride; trifluoroacetic acid; In dichloromethane; water;

upstream raw materials:

(2,5-difluorophenyl)acetanilide

trifluoroacetic acid

4-trifluoromethyl-2,3,5,6-tetrafluoroaniline

perfluorotoluene

Downstream raw materials:

2,5-difluoro-4-trifluoromethyl-aniline

Refernces

• 1、 Senaweera, Sameera M.,Singh, Anuradha,Weaver, Jimmie D.. "Photocatalytic hydrodefluorination: Facile access to partially fluorinated aromatics". supporting information. p. 3002 - 3005. Retrieved 2014/03/21.
• 2、 -. "A benzoylurea derivative and its production and use". . . Retrieved 2008/06/13.