N-(3-(Trifluoromethyl)phenyl)acetamide

Base Information

• Chemical Name: N-(3-(Trifluoromethyl)phenyl)acetamide
• CAS No.: 351-36-0
• Molecular Formula: C9H8F3NO
• Molecular Weight: 203.164
• Hs Code.: 2924299090
• European Community (EC) Number: 206-512-2
• NSC Number: 60257,30581
• DSSTox Substance ID: DTXSID60188595
• Nikkaji Number: J29.477B
• Wikidata: Q83060405
• ChEMBL ID: CHEMBL4070027
• Mol file: 351-36-0.mol

Synonyms:351-36-0;N-(3-(Trifluoromethyl)phenyl)acetamide;3-(TRIFLUOROMETHYL)ACETANILIDE;3-Acetamidobenzotrifluoride;m-Trifluoromethylacetanilide;N-[3-(Trifluoromethyl)phenyl]acetamide;3'-(trifluoromethyl)acetanilide;3-Trifluoromethylacetanilide;USAF MA-14;1-Acetamido-3-trifluoromethylbenzene;Acetanilide, 3-(trifluoromethyl)-;m-Trifluoromethyl acetanilide;3'-Trifluoromethylacetanilide;alpha,alpha,alpha-Trifluoro-m-acetotoluidide;NSC 30581;m-(Trifluoromethyl)acetanilide;Acetamide, N-[3-(trifluoromethyl)phenyl]-;EINECS 206-512-2;Acetamide, N-(3-(trifluoromethyl)phenyl)- (9CI);BRN 2213222;Acetamide, N-(3-(trifluoromethyl)phenyl)-;AI3-13006;N-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetamide;WLN: FXFFR CMV1;m-Acetotoluidide, alpha,alpha,alpha-trifluoro-;m-Acetaminobenzotrifluoride;3-12-00-01989 (Beilstein Handbook Reference);m-Acetotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-;.alpha.,.alpha.-Trifluoro-m-acetotoluidide;m-Acetotoluidide,.alpha.,.alpha.-trifluoro-;N-(.alpha.,.alpha.-Trifluoro-m-tolyl)acetamide;NSC60257;Maybridge1_005905;SCHEMBL505220;3/'-Trifluoromethylacetanilide;3'-(Trifluoromethyl)acetanilid;CHEMBL4070027;HMS558E09;HNIPNANLYHXYDE-UHFFFAOYSA-;DTXSID60188595;NSC30581;MFCD00000383;NSC-30581;NSC-60257;1-Acetamido-3-trifluoromethyl benzene;AKOS003626056;FS-3859;N-(3-Trifluoromethyl-phenyl)-acetamide;SB77829;N-[3-(trifluoromethyl)phenyl]ethanamide;N-[3-(Trifluoromethyl)phenyl]acetamide #;CS-0187542;FT-0614855;A822597;AE-641/02012023;SR-01000397478;.alpha.,.alpha.,.alpha.-Trifluoro-m-acetotoluidide;SR-01000397478-1;N-(.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl)acetamide

Chemical Property of N-(3-(Trifluoromethyl)phenyl)acetamide

Chemical Property:

• Appearance/Colour: white to off-white crystals or crystalline powder
• Vapor Pressure: 0.00188mmHg at 25°C
• Melting Point: 103-106 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 292.006 °C at 760 mmHg
• Flash Point: 130.401 °C
• PSA: 29.10000
• Density: 1.302 g/cm³
• LogP: 2.73680
• Storage Temp.: Room temperature.
• XLogP3: 2.6
• 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

3-(Trifluoromethyl)acetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-(Trifluoromethyl)phenyl)acetamide

There total 23 articles about 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: 99.7%

acetic anhydride (108-24-7) + 3-trifluoromethylaniline (98-16-8) → N-acetyl-3-trifluoromethylbenzenamine (351-36-0)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 1h; Concentration; Solvent; Temperature;

Reference yield: 99.0%

3-trifluoromethylaniline (98-16-8) → N-acetyl-3-trifluoromethylbenzenamine (351-36-0)

Guidance literature:

With acetic anhydride; In acetic acid;

Reference yield: 95.0%

N-<4-chloro-3-(trifluoromethyl)phenyl>acetamide (348-90-3) → N-acetyl-3-trifluoromethylbenzenamine (351-36-0)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/S0040-4039(03)00124-2

upstream raw materials:

3-trifluoromethylaniline

acetic acid

acetic anhydride

Langlois reagent

Downstream raw materials:

N-(3-trifluoromethylphenyl)aniline

α,α,α-trifluoro-N-phenyl-m-acetotoluidide

4-nitro-3-trifluoromethylacetanilide

N-[2-nitro-5-(trifluoromethyl)phenyl]acetamide

Refernces

• 1、 Kumar, Vishal,Dhawan, Sanjeev,Girase, Pankaj Sanjay,Singh, Parvesh,Karpoormath, Rajshekhar. "An Environmentally Benign, Catalyst-Free N?C Bond Cleavage/Formation of Primary, Secondary, and Tertiary Unactivated Amides". . p. 5627 - 5639. Retrieved 2021/11/11.
• 2、 Vogt, David B.,Seath, Ciaran P.,Wang, Hengbin,Jui, Nathan T.. "Selective C-F Functionalization of Unactivated Trifluoromethylarenes". supporting information. p. 13203 - 13211. Retrieved 2019/09/03.