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

Base Information

• Chemical Name: 3-amino-N-[3-(trifluoromethyl)phenyl]benzamide
• CAS No.: 328107-22-8
• Molecular Formula: C14H11F3N2O
• Molecular Weight: 280.249
• DSSTox Substance ID: DTXSID30368049
• Wikidata: Q82154330
• ChEMBL ID: CHEMBL260564
• Mol file: 328107-22-8.mol

Synonyms:3-amino-N-[3-(trifluoromethyl)phenyl]benzamide;328107-22-8;3-Amino-N-(3-trifluoromethyl-phenyl)-benzamide;CHEMBL260564;3-Amino-N-(3-(trifluoromethyl)phenyl)benzamide;Enamine_000835;SCHEMBL4463935;DTXSID30368049;PWIXALXUKMQSDT-UHFFFAOYSA-N;HMS1396F21;BDBM50376386;STL068885;AKOS000115425;CS-0218861;EN300-02326;F70272;Z56784365

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

Chemical Property:

• PSA: 55.12000
• LogP: 4.19410
• 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: 346

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(=O)NC2=CC=CC(=C2)C(F)(F)F

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

There total 4 articles about 3-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: 98.0%

3-nitro-N-(3-(trifluoromethyl)phenyl)benzamide (180631-67-8) → 3-amino-N-(3-(trifluoromethyl)phenyl)benzamide (328107-22-8)

Guidance literature:

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

DOI:10.1021/jm701191z

Reference yield:

3-nitrobenzoic acid (121-92-6) → 3-amino-N-(3-(trifluoromethyl)phenyl)benzamide (328107-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 15 h / 25 °C / Inert atmosphere; Schlenk technique

2: tin(II) chloride hydrate / ethanol / 2 h / 100 °C / Inert atmosphere; Schlenk technique

With tin(II) chloride hydrate; triethylamine; In ethanol; dichloromethane;

DOI:10.1021/jm5009242

Reference yield:

3-trifluoromethylaniline (98-16-8) → 3-amino-N-(3-(trifluoromethyl)phenyl)benzamide (328107-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 15 h / 25 °C / Inert atmosphere; Schlenk technique

2: tin(II) chloride hydrate / ethanol / 2 h / 100 °C / Inert atmosphere; Schlenk technique

With tin(II) chloride hydrate; triethylamine; In ethanol; dichloromethane;

DOI:10.1021/jm5009242

upstream raw materials:

3-nitro-N-(3-(trifluoromethyl)phenyl)benzamide

3-nitrobenzoic acid

3-trifluoromethylaniline

m-nitrobenzoic acid chloride

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