2-Amino-4-(trifluoromethyl)benzamide

Base Information

• Chemical Name: 2-Amino-4-(trifluoromethyl)benzamide
• CAS No.: 713-41-7
• Molecular Formula: C8H7 F3 N2 O
• Molecular Weight: 204.152
• Hs Code.: 2924299090
• European Community (EC) Number: 211-928-2
• DSSTox Substance ID: DTXSID60221456
• Nikkaji Number: J193.083D
• Wikidata: Q83099216
• Mol file: 713-41-7.mol

Synonyms:2-Amino-4-(trifluoromethyl)benzamide;713-41-7;EINECS 211-928-2;MFCD06808543;Benzamide, 2-amino-4-(trifluoromethyl)-;SCHEMBL165304;2-amino-4-trifluromethylbenzamide;DTXSID60221456;2-amino-4-trifluoromethyl-benzamide;AC6669;AKOS008901185;GS-2014;AC-23541;SY013392;CS-0150081;FT-0719162;A866459

Chemical Property of 2-Amino-4-(trifluoromethyl)benzamide

Chemical Property:

• Vapor Pressure: 0.00763mmHg at 25°C
• Melting Point: 151-152 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
• Boiling Point: 268.6°C at 760 mmHg
• PKA: 15.13±0.50(Predicted)
• Flash Point: 116.2°C
• PSA: 69.11000
• Density: 1.418g/cm³
• LogP: 2.66800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.05104734
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

2-amino-4-(trifluoromethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(=O)N

Technology Process of 2-Amino-4-(trifluoromethyl)benzamide

There total 8 articles about 2-Amino-4-(trifluoromethyl)benzamide 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%

2-amino-4-trifluoromethylbenzonitrile (1483-54-1) → 2-amino-4-(trifluoromethyl)benzamide (713-41-7)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 0 - 20 ℃;

Reference yield: 96.0%

2-nitro-4-trifluoromethyl benzamide (22227-55-0) → 2-amino-4-(trifluoromethyl)benzamide (713-41-7)

Guidance literature:

palladium dihydroxide; In methanol;

Reference yield: 84.0%

2-nitro-4-trifluoromethyl-benzonitrile (778-94-9) → 2-amino-4-(trifluoromethyl)benzamide (713-41-7)

Guidance literature:

With aceton-washed saccharomyces cerevisiae; In water; dimethyl sulfoxide; at 32 ℃;

DOI:10.1016/S0040-4039(97)00504-2

upstream raw materials:

2-nitro-4-trifluoromethyl-benzonitrile

4-trifluoromethyl-2-nitroaniline

2-nitro-4-trifluoromethyl benzamide

2-amino-4-trifluoromethylbenzoic acid

Downstream raw materials:

7-(trifluoromethyl)quinazolin-4(3H)-one

2-((4-fluorophenyl)(hydroxy)methyl)-7-(trifluoromethyl)quinazolin-4-ol

4-chloro-2-(4-chlorophenyl)-7-trifluoromethyl-quinazoline

[2-(4-chlorophenyl)-7-trifluoromethyl-quinazolin-4-yl]ethylamine

Refernces

• 1、 Chen, Xiulei,Zhou, Zhen,Li, Zhong,Xu, Xiaoyong. "Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one containing 4,5-dihydrothiazole-2-thiol derivatives against Meloidogyne incognita". . p. 194 - 200. Retrieved 2019/09/13.
• 2、 -. "ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF". . . Retrieved 2012/03/12.