N-(3-Aminophenyl)propanamide

Base Information

• Chemical Name: N-(3-Aminophenyl)propanamide
• CAS No.: 22987-10-6
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• Hs Code.: 2924299090
• European Community (EC) Number: 245-369-0
• UNII: Y0OWC820EI
• DSSTox Substance ID: DTXSID9044877
• Nikkaji Number: J29.387C
• Wikidata: Q27294107
• Mol file: 22987-10-6.mol

Synonyms:N-(3-Aminophenyl)propanamide;22987-10-6;N-(3-Aminophenyl)propionamide;M-Amino Propionanilide;m-Aminopropionanilide;3-Amino propionylanilide;Propanamide, N-(3-aminophenyl)-;3-Aminopropionanilide;N-(3-Aminophenyl)-Propionamide;UNII-Y0OWC820EI;Y0OWC820EI;DTXSID9044877;EINECS 245-369-0;m-propionylaminoaniline;3'-aminopropionanilide;3-Propionylaminoaniline;Meta-aminopropionanilide;Meta-amino propionanilide;Oprea1_279057;Oprea1_444929;SCHEMBL397243;DTXCID7024877;AML0028;N-(3-amino-phenyl)-propionamide;BCP19520;Tox21_301647;BBL000090;MFCD00044021;N-(3-Aminophenyl)propanamide, 97%;STK345456;N-PROPIONYL-M-PHENYLENEDIAMINE;AKOS000108318;NCGC00256147-01;DS-18050;J29.387C;CAS-22987-10-6;BB 0245334;CS-0204486;FT-0628141;EN300-30473;O11989;A816459;W-107444;Q27294107;Z57243699

Chemical Property of N-(3-Aminophenyl)propanamide

Chemical Property:

• Vapor Pressure: 2.36E-06mmHg at 25°C
• Melting Point: 92-96 °C(lit.)
• Refractive Index: 1.616
• Boiling Point: 392.028 °C at 760 mmHg
• PKA: 14.82±0.70(Predicted)
• Flash Point: 190.892 °C
• PSA: 55.12000
• Density: 1.162 g/cm³
• LogP: 2.27150
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

N-(3-Aminophenyl)propanamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)NC1=CC=CC(=C1)N

Technology Process of N-(3-Aminophenyl)propanamide

There total 4 articles about N-(3-Aminophenyl)propanamide 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: 96.0%

N-(3-nitrophenyl)propionamide (7470-50-0) → 1-amino-3-propionylamino-benzene (22987-10-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 77.52%

→ 1-amino-3-propionylamino-benzene (22987-10-6)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 85 ℃; for 1h;

Reference yield:

3-nitro-aniline (99-09-2) → 1-amino-3-propionylamino-benzene (22987-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) thionyl chloride, 2.) triethylamine / 1.) benzene, reflux, 1 h, 2.) benzene/chloroform, reflux, 2 h

2: 50 percent / tin(II) chloride, sodium borohydride / methanol; ethanol / 1 h / Heating

With sodium tetrahydroborate; thionyl chloride; triethylamine; tin(ll) chloride; In methanol; ethanol;

upstream raw materials:

N-(3-nitrophenyl)propionamide

propionyl chloride

m-phenylenediamine

3-nitro-aniline

Downstream raw materials:

3-Methyl-but-2-enoic acid (3-propionylamino-phenyl)-amide

3-Methyl-N-(3-propionylamino-phenyl)-butyramide

Heptanoic acid (3-propionylamino-phenyl)-amide

3'-crotonamidopropionanilide

Refernces

• 1、 -. "Benzopyrimidine compound, preparation method, and applications thereof". Paragraph 0066; 0069; 0070-0072. . Retrieved 2019/11/04.
• 2、 Katritzky, Alan R.,Rachwal, Bogumila,Rachwal, Stanislaw. "Synthesis and NMR-spectral characterization of N,N-dialkyl-3-nitroanilines, N,N-dialkyl-1,3-benzenediamines and their acyl derivatives". . p. 337 - 345. Retrieved 2007/10/02.