N-(2-aminopropyl)benzamide

Base Information

• Chemical Name: N-(2-aminopropyl)benzamide
• CAS No.: 156747-40-9
• Molecular Formula: C10H14 N2 O
• Molecular Weight: 178.23
• DSSTox Substance ID: DTXSID40565446
• Mol file: 156747-40-9.mol

Synonyms:N-(2-aminopropyl)benzamide;156747-40-9;Benzamide, N-(2-aminopropyl)-;SCHEMBL6656313;DTXSID40565446;AKOS013044547

Chemical Property of N-(2-aminopropyl)benzamide

Chemical Property:

• PSA: 58.61000
• LogP: 2.03870
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNC(=O)C1=CC=CC=C1)N

Technology Process of N-(2-aminopropyl)benzamide

There total 4 articles about N-(2-aminopropyl)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%

5-benzoyl-3-(cyclopent-1-en-1-yl)-5-phenyl-1,5-dihydro-4H-pyrazol-4-one + 1,2-diaminopropan (78-90-0,10424-38-1) → N-(2-Aminopropyl)benzamide (156747-40-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h; regioselective reaction; Kinetics;

DOI:10.1039/c7sc03184j

Reference yield:

9-benzoyl-9H-carbazole (19264-68-7) + 1,2-diaminopropan (78-90-0,10424-38-1) → N-(2-Aminopropyl)benzamide (156747-40-9)

Guidance literature:

In tetrahydrofuran; at 30 ℃; for 24h; chemoselective reaction;

DOI:10.1246/bcsj.20200116

Reference yield:

benzoyl chloride (98-88-4) → N-(2-Aminopropyl)benzamide (156747-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: DMAP / tetrahydrofuran / 18 h / Ambient temperature

2: Cp₂TiCl₂ / tetrahydrofuran / 18 h / Ambient temperature

With dmap; bis(cyclopentadienyl)titanium dichloride; In tetrahydrofuran;

DOI:10.1021/jo00091a052

upstream raw materials:

3-benzoyl-1,3-oxazolidin-2-one

1,2-diaminopropan

benzoyl chloride

9-benzoyl-9H-carbazole

Downstream raw materials:

N-(2-hydroxypropyl)benzamide