4-amino-N-(4-fluorophenyl)benzamide

Base Information

• Chemical Name: 4-amino-N-(4-fluorophenyl)benzamide
• CAS No.: 698988-07-7
• Molecular Formula: C₁₃H₁₁FN₂O
• Molecular Weight: 230.242
• DSSTox Substance ID: DTXSID90363656
• Wikidata: Q82147396
• Mol file: 698988-07-7.mol

Synonyms:4-amino-N-(4-fluorophenyl)benzamide;698988-07-7;MFCD05857382;SCHEMBL16741759;DTXSID90363656;STK272205;AKOS000143603;LS-08455;CS-0310808;E82619;4-AMINO-N-(4-FLUOROPHENYL)BENZAMIDE 95%;AG-690/15444242;2-AMINO-1-PYRIDIN-4-YL-ETHANONEDIHYDROCHLORIDE

Chemical Property of 4-amino-N-(4-fluorophenyl)benzamide

Chemical Property:

• Vapor Pressure: 0.000343mmHg at 25°C
• Boiling Point: 319.2°C at 760 mmHg
• Flash Point: 146.9°C
• PSA: 55.12000
• Density: 1.317g/cm³
• LogP: 3.31440
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.08554114
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-N-(4-fluorophenyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)F)N

Technology Process of 4-amino-N-(4-fluorophenyl)benzamide

There total 8 articles about 4-amino-N-(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: 87.6%

4-nitro-N-(4-fluorophenyl)benzamide (347-81-9) → 4-amino-N-(4-fluorophenyl)benzamide (698988-07-7)

Guidance literature:

With iron; ammonium chloride; In methanol; water; at 70 ℃;

DOI:10.1039/c8md00413g

Reference yield:

tert-butyl (4-{[(4-fluorophenyl)amino]carbonyl}phenyl)carbamate → 4-amino-N-(4-fluorophenyl)benzamide (698988-07-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 5h;

Reference yield:

4-fluoroaniline (371-40-4) → 4-amino-N-(4-fluorophenyl)benzamide (698988-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 100 °C

2: trifluoroacetic acid / dichloromethane / 5 h / 20 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

4-(N-tert-butoxycarbonyl)aminobenzoic acid

4-fluoroaniline

4-nitro-benzoic acid

4-nitro-benzoyl chloride

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