N-(2-(Trifluoromethyl)phenyl)acetamide

Base Information

• Chemical Name: N-(2-(Trifluoromethyl)phenyl)acetamide
• CAS No.: 344-62-7
• Molecular Formula: C9H8 F3 N O
• Molecular Weight: 203.164
• Hs Code.: 2924299090
• European Community (EC) Number: 206-453-2
• NSC Number: 88329
• DSSTox Substance ID: DTXSID50187971
• Nikkaji Number: J55.066C
• Wikidata: Q83059726
• ChEMBL ID: CHEMBL1874545
• Mol file: 344-62-7.mol

Synonyms:344-62-7;N-(2-(Trifluoromethyl)phenyl)acetamide;2-(Trifluoromethyl)acetanilide;n-[2-(trifluoromethyl)phenyl]acetamide;2'-(Trifluoromethyl)acetanilide;Acetamide, N-[2-(trifluoromethyl)phenyl]-;Acetanilide, 2-trifluoromethyl-;alpha,alpha,alpha-Trifluoro-o-acetotoluidide;EINECS 206-453-2;NSC 88329;N-(2-Trifluoromethyl-phenyl)-acetamide;BRN 2106815;Acetamide, N-(2-(trifluoromethyl)phenyl)-;o-Acetotoluidide, alpha,alpha,alpha-trifluoro-;3-12-00-01909 (Beilstein Handbook Reference);Acetamide, N-(2-(trifluoromethyl)phenyl)- (9CI);o-ACETAMINOBENZOTRIFLUORIDE;N1-[2-(trifluoromethyl)phenyl]acetamide;NSC88329;Maybridge1_008684;WLN: FXFFVMR B1;2-trifluormethylacetanilide;o-trifluoromethylacetanilide;NCIOpen2_005228;2-trifluoromethyl acetanilide;MLS000835009;SCHEMBL1395802;CHEMBL1874545;2'-(Trifluoromethyl)acetoanilide;HMS566C16;N-acetyl-o-trifluoromethylaniline;AMY8856;DTXSID50187971;N-Acetyl-2-trifluoromethylaniline;HMS2809E12;GEO-03566;MFCD00013555;N-(2-Trifluoromethylphenyl)acetamide;NSC-88329;STL412476;AKOS003849328;2'-(Trifluoromethyl)acetanilide, 98%;SB78001;A,A,A-TRIFLUORO-O-ACETOTOLUIDIDE;NCGC00246706-01;AS-63844;SMR000461625;.alpha.,.alpha.-Trifluoro-o-acetotoluidide;CS-0128353;FT-0610933;o-Acetotoluidide,.alpha.,.alpha.-trifluoro-;A822246

Chemical Property of N-(2-(Trifluoromethyl)phenyl)acetamide

Chemical Property:

• Melting Point: 94-95ºC
• Boiling Point: 296.8 ºCat 760 mmHg
• Flash Point: 133.3 ºC
• PSA: 29.10000
• Density: 1.302 g/cm3
• LogP: 2.73680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 203.05579836
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

2-(TRIFLUOROMETHYL)ACETANILIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC=C1C(F)(F)F

Technology Process of N-(2-(Trifluoromethyl)phenyl)acetamide

There total 16 articles about N-(2-(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: 96.0%

acetic anhydride (108-24-7) + 2-(trifluoromethyl)benzenamine (88-17-5) → N-[2-(trifluoromethyl)phenyl]acetamide (344-62-7)

Guidance literature:

With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; In neat (no solvent); at 50 ℃; for 0.5h; Green chemistry;

DOI:10.1007/s00706-012-0820-7

Reference yield: 95.0%

acetyl chloride (75-36-5) + 2-(trifluoromethyl)benzenamine (88-17-5) → N-[2-(trifluoromethyl)phenyl]acetamide (344-62-7)

Guidance literature:

With triethylamine; In chloroform; at 23 ℃; for 1h;

DOI:10.1021/jo00027a037

Reference yield: 86.0%

α,α,α-trifluorotoluene (98-08-8) + acetonitrile (75-05-8,26809-02-9) → N-[2-(trifluoromethyl)phenyl]acetamide (344-62-7) + N-acetyl-3-trifluoromethylbenzenamine (351-36-0)

Guidance literature:

α,α,α-trifluorotoluene; acetonitrile; With tetrabutylammonium tetrafluoroborate; at 18 ℃; Electrochemical reaction;

With water; In diethyl ether;

DOI:10.1016/j.elecom.2014.08.028

upstream raw materials:

2-(trifluoromethyl)benzenamine

2-nitrobenzotrifluoride

acetic anhydride

acetyl chloride

Downstream raw materials:

N-<2-Trifluormethyl-phenyl>-N-nitroso-acetamid

α,α,α-trifluoro-o-diacetotoluidide

α,α,α-trifluoro-N-phenyl-o-toluidine

ethyl 2-(phenylamino)benzoate

Refernces

• 1、 Budnikova, Yulia,Kononov, Alexander,Rizvanov, Ildar,Strekalova, Sofia. "Acetonitrile and benzonitrile as versatile amino sources in copper-catalyzed mild electrochemical C-H amidation reactions". . p. 37540 - 37543. Retrieved 2021/12/07.
• 2、 Zou, Long,Li, Pinhua,Wang, Bin,Wang, Lei. "Visible-light-induced Pd-catalyzed: Ortho -trifluoromethylation of acetanilides with CF3SO2Na under ambient conditions in the absence of an external photocatalyst". supporting information. p. 3737 - 3740. Retrieved 2019/04/01.