2,2,2-Trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide
• CAS No.: 2946-73-8
• Molecular Formula: C9H5 F6 N O
• Molecular Weight: 257.135
• Hs Code.: 2924299090
• NSC Number: 406422
• DSSTox Substance ID: DTXSID20183667
• Nikkaji Number: J1.448.812J
• Wikidata: Q83054489
• ChEMBL ID: CHEMBL4075305
• Mol file: 2946-73-8.mol

Synonyms:2,2,2-trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide;2946-73-8;Acetanilide, 2,2,2-trifluoro-3'-(trifluoromethyl)-;2,2,2-Trifluoro-N-(3-(trifluoromethyl)phenyl)acetamide;Acetamide, 2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)-;BRN 2387108;Acetamide, 2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]-;3'-(Trifluoromethyl)-2,2,2-trifluoroacetanilide;NSC406422;Bionet2_001395;SCHEMBL2883710;CHEMBL4075305;DTXSID20183667;HMS1367P09;CAA94673;MFCD00444115;AKOS003621078;NSC 406422;NSC-406422;CS-0323774;11T-0245;2,2,2-trifluoro-N-(3-trifluoromethylphenyl)-acetamide

Chemical Property of 2,2,2-Trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide

Chemical Property:

• Vapor Pressure: 0.0322mmHg at 25°C
• Boiling Point: 243.4°Cat760mmHg
• Flash Point: 101°C
• PSA: 29.10000
• Density: 1.491g/cm³
• LogP: 3.27920
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 257.02753276
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

2,2,2-Trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,2-Trifluoro-n-[3-(trifluoromethyl)phenyl]acetamide

There total 4 articles about 2,2,2-Trifluoro-n-[3-(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: 100.0%

3-trifluoromethylaniline (98-16-8) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetamide (2946-73-8)

Guidance literature:

With triethylamine; In 2-methyltetrahydrofuran;

DOI:10.1021/acs.jmedchem.9b00555

Reference yield: 93.0%

ethyl trifluoroacetate, (383-63-1) + 3-trifluoromethylaniline (98-16-8) → 2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetamide (2946-73-8)

Guidance literature:

With dmap; In tetrahydrofuran; for 48h; Heating;

DOI:10.1016/S0040-4039(00)01812-8

Reference yield:

2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetimidoyl chloride (69563-07-1) → 2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetamide (2946-73-8)

Guidance literature:

With titanium(IV) oxide; In water; Inert atmosphere;

DOI:10.1007/s11030-017-9726-y

upstream raw materials:

3-trifluoromethylaniline

trifluoroacetic anhydride

ethyl trifluoroacetate,

2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetimidoyl chloride

Downstream raw materials:

2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetimidoyl chloride