4-Amino-N-(1-phenylethyl)benzamide

Base Information

• Chemical Name: 4-Amino-N-(1-phenylethyl)benzamide
• CAS No.: 85592-75-2
• Molecular Formula: C15H16N2O
• Molecular Weight: 240.305
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90914203
• Nikkaji Number: J474.730E
• Wikidata: Q27188423
• ChEMBL ID: CHEMBL277208
• Mol file: 85592-75-2.mol

Synonyms:4-amino-N-(alpha-methylbenzyl)benzamide;4-amino-N-(alpha-methylbenzyl)benzamide, (+-)-isomer;LY 188544;LY 188545;LY 188546;LY-188544

Chemical Property of 4-Amino-N-(1-phenylethyl)benzamide

Chemical Property:

• Vapor Pressure: 7.47E-09mmHg at 25°C
• Boiling Point: 465.8°Cat760mmHg
• Flash Point: 235.5°C
• PSA: 55.12000
• Density: 1.144g/cm³
• LogP: 3.73190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.126263138
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-N-(1-phenylethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Amino-N-(1-phenylethyl)benzamide

There total 4 articles about 4-Amino-N-(1-phenylethyl)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%

p-nitro-N-(1-phenylethyl)benzamide (85592-74-1) → 4-amino-N-(1-phenylethyl)benzamide (85592-75-2,97042-55-2)

Guidance literature:

p-nitro-N-(1-phenylethyl)benzamide; With tin(II) chloride dihdyrate; In ethyl acetate; for 2h; Reflux;

With sodium hydrogencarbonate; In water; ethyl acetate; pH=7 - 8;

DOI:10.1016/j.bmc.2011.02.032

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 4-amino-N-(1-phenylethyl)benzamide (85592-75-2,97042-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 20percent (w/v) K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 80 percent / H₂ / 5percent Pd/C / ethanol / 3 h / 2327.2 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/jm00372a013

Reference yield:

rac-methylbenzylamine (618-36-0) → 4-amino-N-(1-phenylethyl)benzamide (85592-75-2,97042-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 20percent (w/v) K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 80 percent / H₂ / 5percent Pd/C / ethanol / 3 h / 2327.2 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/jm00372a013

upstream raw materials:

p-nitro-N-(1-phenylethyl)benzamide

4-nitro-benzoyl chloride

rac-methylbenzylamine

Downstream raw materials:

N-[4-(1-Phenyl-ethylcarbamoyl)-phenyl]-oxalamic acid ethyl ester

4-(Acetylamino)-N-(1-phenylethyl)benzamide

para-sirtinol

4-[(1-Phenyl-ethylamino)-methyl]-phenylamine