N-(3-Nitrophenyl)propionamide

Base Information

• Chemical Name: N-(3-Nitrophenyl)propionamide
• CAS No.: 7470-50-0
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.19
• Hs Code.: 2924299090
• European Community (EC) Number: 231-267-3
• NSC Number: 404310
• UNII: KZU5D5US7T
• DSSTox Substance ID: DTXSID70225687
• Nikkaji Number: J29.441A
• Wikidata: Q83104773
• Mol file: 7470-50-0.mol

Synonyms:N-(3-Nitrophenyl)propionamide;N-(3-nitrophenyl)propanamide;7470-50-0;Propanamide, N-(3-nitrophenyl)-;EINECS 231-267-3;NSC-404310;AI3-17678;m-Nitropropionanilde;NSC404310;3'-Nitropropionanilide;KZU5D5US7T;Propionanilide, 3'-nitro-;Oprea1_583815;SCHEMBL5213509;DTXSID70225687;MFCD00791259;STL071265;AKOS000502794;NSC 404310;DS-20086;CS-0152595;C76387

Chemical Property of N-(3-Nitrophenyl)propionamide

Chemical Property:

• Vapor Pressure: 3.96E-06mmHg at 25°C
• Melting Point: 104-104.5 °C
• Boiling Point: 384.9°C at 760 mmHg
• PKA: 14.20±0.70(Predicted)
• Flash Point: 186.6°C
• PSA: 74.92000
• Density: 1.287g/cm³
• LogP: 2.53950
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.06914219
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

N-(3-Nitrophenyl)propanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of N-(3-Nitrophenyl)propionamide

There total 4 articles about N-(3-Nitrophenyl)propionamide 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: 95.0%

propionyl chloride (79-03-8) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl)propionamide (7470-50-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h; Cooling with ice; Inert atmosphere;

Reference yield: 86.0%

propionic acid (802294-64-0,79-09-4) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl)propionamide (7470-50-0)

Guidance literature:

propionic acid; With iodine; triethylamine; phosphorous acid trimethyl ester; In dichloromethane; for 0.166667h; Cooling with ice; Inert atmosphere;

3-nitro-aniline; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere; Cooling with ice;

DOI:10.1002/ejoc.201101030

Reference yield:

sulfuric acid (7664-93-9) + N-(phenyl)-2-methylacetamide (620-71-3) + nitric acid (7697-37-2,78989-43-2) → N-(4-nitrophenyl)propionamide (4850-93-5) + N-(3-nitrophenyl)propionamide (7470-50-0) + N-(2-nitrophenyl)propionamide (19314-20-6)

Guidance literature:

Product distribution;

upstream raw materials:

propionic acid

3-nitro-aniline

sulfuric acid

N-(phenyl)-2-methylacetamide

Downstream raw materials:

N-[3-(Butyl-phenethyl-amino)-phenyl]-propionamide

N-(3-butylaminophenyl)propionamide

N-[2-(2-Cyano-4,6-dinitro-phenylazo)-5-diethylamino-phenyl]-propionamide

N-[2-(2-Bromo-4,6-dinitro-phenylazo)-5-diethylamino-phenyl]-propionamide