4-amino-N-[3-(trifluoromethyl)phenyl]benzamide

Base Information

• Chemical Name: 4-amino-N-[3-(trifluoromethyl)phenyl]benzamide
• CAS No.: 811841-49-3
• Molecular Formula: C₁₄H₁₁F₃N₂O
• Molecular Weight: 280.249
• DSSTox Substance ID: DTXSID50373413
• Wikidata: Q82161566
• ChEMBL ID: CHEMBL261520
• Mol file: 811841-49-3.mol

Synonyms:4-amino-N-[3-(trifluoromethyl)phenyl]benzamide;811841-49-3;4-Amino-N-(3-(trifluoromethyl)phenyl)benzamide;CHEMBL261520;4-amino-n-[3-(trifluoromethyl)phenyl]benzenecarboxamide;SCHEMBL11307930;DTXSID50373413;BBL025906;BDBM50376384;MFCD00171039;STL062185;AKOS000111278;AT15122;MS-6747;BB 0245770;CS-0313874;FT-0714781;4-Amino-N-(3-trifluoromethyl-phenyl)-benzam ide;(4-Aminophenyl)-N-(3-(trifluoromethyl)phenyl) formamide

Chemical Property of 4-amino-N-[3-(trifluoromethyl)phenyl]benzamide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 280.08234746
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-N-[3-(trifluoromethyl)phenyl]benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)C(F)(F)F

Technology Process of 4-amino-N-[3-(trifluoromethyl)phenyl]benzamide

There total 3 articles about 4-amino-N-[3-(trifluoromethyl)phenyl]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: 79.0%

4-nitro-N-[(3-trifluoromethyl)phenyl]benzamide → 4-amino-N-[3-(trifluoromethyl)phenyl]benzamide (811841-49-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; under 750.075 Torr;

DOI:10.1021/jm701191z

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 4-amino-N-[3-(trifluoromethyl)phenyl]benzamide (811841-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 4 h / 115 °C / Inert atmosphere

2: zinc; acetic acid / tetrahydrofuran / Inert atmosphere

With pyridine; acetic acid; zinc; In tetrahydrofuran;

Reference yield:

3-trifluoromethylaniline (98-16-8) → 4-amino-N-[3-(trifluoromethyl)phenyl]benzamide (811841-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 4 h / 115 °C / Inert atmosphere

2: zinc; acetic acid / tetrahydrofuran / Inert atmosphere

With pyridine; acetic acid; zinc; In tetrahydrofuran;

upstream raw materials:

3-trifluoromethylaniline

4-nitro-benzoyl chloride

Refernces

• 1、 Kakuta, Hiroki,Zheng, Xiaoxia,Oda, Hiroyuki,Harada, Shun,Sugimoto, Yukio,Sasaki, Kenji,Tai, Akihiro. "Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. Design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor". . p. 2400 - 2411. Retrieved 2008/12/22.