3'-Trifluoromethylformanilide

Base Information

• Chemical Name: 3'-Trifluoromethylformanilide
• CAS No.: 657-78-3
• Molecular Formula: C8H6 F3 N O
• Molecular Weight: 189.137
• Hs Code.: 2924299090
• European Community (EC) Number: 211-520-4
• NSC Number: 49211
• UNII: X52F9KDT8Q
• DSSTox Substance ID: DTXSID80215918
• Nikkaji Number: J69.680C
• Wikidata: Q83092047
• Mol file: 657-78-3.mol

Synonyms:3-(Trifluoromethyl)formanilide;657-78-3;3'-Trifluoromethylformanilide;N-[3-(trifluoromethyl)phenyl]formamide;Formanilide, 3'-trifluoromethyl-;N-(3-Trifluoromethylphenyl)formamide;N-(3-(Trifluoromethyl)phenyl)formamide;m-FORMOTOLUIDIDE, alpha,alpha,alpha-TRIFLUORO-;EINECS 211-520-4;NSC 49211;N-(alpha,alpha,alpha-Trifluoro-m-tolyl)formamide;BRN 2101903;X52F9KDT8Q;alpha,alpha,alpha-Trifluoro-m-formotoluidide;NSC-49211;Formamide, N-(3-(trifluoromethyl)phenyl)-;.alpha.,.alpha.,.alpha.-Trifluoro-m-formotoluidide;Formamide, N-[3-(trifluoromethyl)phenyl]-;NSC49211;m-trifluoromethylformanilide;UNII-X52F9KDT8Q;SCHEMBL227216;DTXSID80215918;3-(Trifluoromethyl)phenylformamide;3-(Trifluoromethyl)phenylformamide #;MFCD00021013;M-(TRIFLUOROMETHYL)FORMANILIDE;AKOS001588875;LS-69724;FT-0616420;1H-INDEN-1-AMINE,5-BROMO-2,3-DIHYDRO-;A835225;SR-01000397479;SR-01000397479-1;m-Formotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-;N-(.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)formamide

Chemical Property of 3'-Trifluoromethylformanilide

Chemical Property:

• Boiling Point: 272.4oC at 760 mmHg
• Flash Point: 118.5oC
• PSA: 29.10000
• Density: 1.353g/cm3
• LogP: 2.98260
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.04014830
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98% ^*data from raw suppliers

3''-Trifluoromethylformanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3'-Trifluoromethylformanilide

There total 9 articles about 3'-Trifluoromethylformanilide 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: 98.0%

formic acid (64-18-6) + 3-trifluoromethylaniline (98-16-8) → N-(3-(trifluoromethyl)phenyl)formamide (657-78-3)

Guidance literature:

In benzene; for 2.5h; Heating;

Reference yield: 96.0%

Methyl formate (107-31-3) + 3-trifluoromethylaniline (98-16-8) → N-(3-(trifluoromethyl)phenyl)formamide (657-78-3)

Guidance literature:

With calcium(II) bis(trifluoromethanesulfonyl)imide; In neat (no solvent); at 115 ℃; for 1h; Reagent/catalyst; Microwave irradiation; Sealed tube;

DOI:10.1002/ejoc.201600226

Reference yield: 96.0%

→ N-(3-(trifluoromethyl)phenyl)formamide (657-78-3)

Guidance literature:

With nitromethane; calcium(II) bis(trifluoromethanesulfonyl)imide; at 115 ℃; for 1h; Microwave irradiation; Sealed tube;

upstream raw materials:

formic acid

3-trifluoromethylaniline

formamide

(meta-(trifluoromethyl)phenyl)boronic acid

Downstream raw materials:

C₆H₄(CF₃)N(CHO)SCFCl₂

N-formyl-2-(p-tolyl)-N-(3-(trifluoromethyl)phenyl)acetamide

N-formyl-2-(thiophen-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide

C₁₆H₉F₃N₂O₂

Refernces

• 1、 Dhawan, Sanjeev,Girase, Pankaj Sanjay,Kumar, Vishal,Karpoormath, Rajshekhar. "HCl-mediated transamidation of unactivated formamides using aromatic amines in aqueous media". . p. 3729 - 3739. Retrieved 2021/10/14.
• 2、 Lin, Dian-Zhao,Huang, Jing-Mei. "Electrochemical N -Formylation of Amines via Decarboxylation of Glyoxylic Acid". supporting information. p. 2112 - 2115. Retrieved 2018/04/14.