4-nitro-N-(2-phenylethyl)benzamide

Base Information

• Chemical Name: 4-nitro-N-(2-phenylethyl)benzamide
• CAS No.: 62497-65-8
• Molecular Formula: C15H14 N2 O3
• Molecular Weight: 270.288
• NSC Number: 24666
• DSSTox Substance ID: DTXSID30282135
• Nikkaji Number: J492.650A
• Wikidata: Q82016324
• ChEMBL ID: CHEMBL1479974
• Mol file: 62497-65-8.mol

Synonyms:4-nitro-N-(2-phenylethyl)benzamide;62497-65-8;4-nitro-N-phenethylbenzamide;MLS000573815;SMR000184667;NSC24666;Cambridge id 5176014;Oprea1_027473;CBDivE_012604;4-nitro-N-phenethyl-benzamide;cid_230117;CHEMBL1479974;SCHEMBL11024162;BDBM96628;DTXSID30282135;HMS2387P05;MFCD00420506;NSC-24666;STL200452;AKOS000371339;LS-07254;CS-0314650;SR-01000197703;SR-01000197703-1

Chemical Property of 4-nitro-N-(2-phenylethyl)benzamide

Chemical Property:

• Vapor Pressure: 4.89E-10mmHg at 25°C
• Boiling Point: 497.6°C at 760 mmHg
• Flash Point: 254.7°C
• PSA: 74.92000
• Density: 1.235g/cm³
• LogP: 3.48140
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 270.10044231
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

4-Nitro-N-Phenethylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-nitro-N-(2-phenylethyl)benzamide

There total 21 articles about 4-nitro-N-(2-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: 100.0%

C16H16N4O6 + phenethylamine (64-04-0) → 4-nitro-N-phenethylbenzamide (62497-65-8)

Guidance literature:

In methanol; at 20 ℃; for 0.5h; Solvent;

DOI:10.1248/cpb.c20-00952

Reference yield: 97.0%

phenethylamine (64-04-0) + 4-nitro-benzoic acid (62-23-7) → 4-nitro-N-phenethylbenzamide (62497-65-8)

Guidance literature:

With (3-{[(cyclohexylimino)methylidene]amino}propyl)oxy linked polystyrene resin; In dichloromethane; N,N-dimethyl-formamide; for 0.0833333h; Flow reactor;

DOI:10.1021/acscombsci.0c00001

Reference yield: 96.0%

4-nitrobenzaldehdye (555-16-8) + phenethylamine (64-04-0) → 4-nitro-N-phenethylbenzamide (62497-65-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; water; 1-butyl-3-methylimidazolium Tetrafluoroborate; In chloroform; at 0 - 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol3012315

upstream raw materials:

2-phenylethylamine hydrochloride

4-nitro-benzoyl chloride

3-bromo-3-(4-nitrophenyl)diazirine

3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester

Downstream raw materials:

p-nitrophenyl-1 dihydro-3,4 isoquinoleine

4-amino-N-(β-phenethyl)benzamide

2-(4-nitro-phenyl)-5-phenyl-oxazole

4-bromo-2-(4-nitrophenyl)-5-phenyloxazole