N-(3-Amino-4-fluorophenyl)benzamide

Base Information

• Chemical Name: N-(3-Amino-4-fluorophenyl)benzamide
• CAS No.: 866023-58-7
• Molecular Formula: C₁₃H₁₁FN₂O
• Molecular Weight: 230.242
• DSSTox Substance ID: DTXSID401294789
• Mol file: 866023-58-7.mol

Synonyms:N-(3-AMINO-4-FLUOROPHENYL)BENZAMIDE;866023-58-7;Benzamide, N-(3-amino-4-fluorophenyl)-;DTXSID401294789;AKOS000130496

Chemical Property of N-(3-Amino-4-fluorophenyl)benzamide

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.08554114
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

N-(3-AMINO-4-FLUOROPHENYL)BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-(3-Amino-4-fluorophenyl)benzamide

There total 4 articles about N-(3-Amino-4-fluorophenyl)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: 57.0%

N-(4-fluoro-3-nitrophenyl)-benzylamide (228425-41-0) → N-(3-amino-4-fluorophenyl)benzamide (866023-58-7)

Guidance literature:

With 10% palladium on charcoal; ammonium formate; In methanol; at 0 - 20 ℃; for 2h;

DOI:10.1021/jo900513z

Reference yield:

4-Fluoro-3-nitroaniline (364-76-1) → N-(3-amino-4-fluorophenyl)benzamide (866023-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride; phosgene; triethylamine / dichloromethane / 20 °C

2: palladium on activated charcoal; hydrogen / ethyl acetate / 20 °C

With phosgene; aluminum (III) chloride; palladium on activated charcoal; hydrogen; triethylamine; In dichloromethane; ethyl acetate;

DOI:10.1021/jm401276h

Reference yield:

benzoyl chloride (98-88-4) → N-(3-amino-4-fluorophenyl)benzamide (866023-58-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / 5 h / 60 °C

2: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 25 °C

With palladium 10% on activated carbon; hydrogen; triethylamine; In methanol;

DOI:10.1021/acsmedchemlett.8b00564

upstream raw materials:

N-(4-fluoro-3-nitrophenyl)-benzylamide

benzoic acid

4-Fluoro-3-nitroaniline

benzoyl chloride

Downstream raw materials:

N-(5-benzamido-2-fluorophenylcarbamothioyl)-3,4,5-trimethoxybenzamide

C₃₀H₂₅FN₂O₄

C₂₄H₂₁FN₂O₂

C₂₈H₂₁FN₂O₂

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