3-amino-N-phenylpropanamide

Base Information

• Chemical Name: 3-amino-N-phenylpropanamide
• CAS No.: 57528-64-0
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• European Community (EC) Number: 804-765-9
• ChEMBL ID: CHEMBL4529767
• Nikkaji Number: J2.445.412F
• Mol file: 57528-64-0.mol

Synonyms:3-amino-N-phenylpropanamide;57528-64-0;N~1~-phenyl-beta-alaninamide;3-Amino-N-phenyl-propionamide;Propanamide, 3-amino-N-phenyl-;SCHEMBL4400398;CHEMBL4529767;N1-PHENYL-BETA-ALANINAMIDE;MFCD02094159;AKOS000104493;NCGC00340865-01;VS-09312;CS-0118553;EN300-76656;F21144;AB00705170-03;Z241054028

Chemical Property of 3-amino-N-phenylpropanamide

Chemical Property:

• PSA: 55.12000
• LogP: 1.74720
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

3-amino-N-phenylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-amino-N-phenylpropanamide

There total 7 articles about 3-amino-N-phenylpropanamide 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: 74.0%

benzyl (3-oxo-3-(phenylamino)propyl)carbamate (115022-93-0) → 3-amino-propionanilide (57528-64-0)

Guidance literature:

benzyl (3-oxo-3-(phenylamino)propyl)carbamate; With hydrogen bromide; In acetic acid; at 20 ℃; for 1h;

With sodium hydroxide; at 0 - 5 ℃;

DOI:10.1016/S0040-4020(01)01196-6

Reference yield:

tert-butyl [3-oxo-3-(phenylamino)propyl]carbamate (874942-22-0) → 3-amino-propionanilide (57528-64-0)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.166667h;

DOI:10.1021/jm0507781

Reference yield:

aniline (62-53-3) → 3-amino-propionanilide (57528-64-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HOSu; DCC / CH₂Cl₂; dioxane / 5 h / 20 °C

2: TFA / 0.17 h / 20 °C

With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; trifluoroacetic acid; In 1,4-dioxane; dichloromethane;

DOI:10.1021/jm0507781

upstream raw materials:

cyanoacetanilide

3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-phenylpropanamide

benzyl (3-oxo-3-(phenylamino)propyl)carbamate

tert-butyl [3-oxo-3-(phenylamino)propyl]carbamate

Downstream raw materials:

(R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-(phenylamino)propyl)butanamide

N-(3-aminopropyl)aniline