Benzamide, N-(3-aminopropyl)-4-nitro-

Base Information

• Chemical Name: Benzamide, N-(3-aminopropyl)-4-nitro-
• CAS No.: 88342-18-1
• Molecular Formula: C10H13N3O3
• Molecular Weight: 223.232
• DSSTox Substance ID: DTXSID90442778
• Nikkaji Number: J1.298.391C
• Mol file: 88342-18-1.mol

Synonyms:Benzamide, N-(3-aminopropyl)-4-nitro-;N-(3-Aminopropyl)-4-nitrobenzamide;88342-18-1;DTXSID90442778;AKOS000173199;A1-04945

Chemical Property of Benzamide, N-(3-aminopropyl)-4-nitro-

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.09569129
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NCCCN)[N+](=O)[O-]

Technology Process of Benzamide, N-(3-aminopropyl)-4-nitro-

There total 3 articles about Benzamide, N-(3-aminopropyl)-4-nitro- 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:

4-nitro-benzoyl chloride (122-04-3) + Trimethylenediamine (109-76-2,54018-94-9) → N-(3-aminopropyl)-4-nitrobenzamide (88342-18-1)

Guidance literature:

With acetic acid; at 20 ℃; for 2h;

DOI:10.1248/cpb.48.808

Reference yield:

CF3O3S(1-)*C19H14NO4PPol(1+) + Trimethylenediamine (109-76-2,54018-94-9) → N-(3-aminopropyl)-4-nitrobenzamide (88342-18-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1021/jo401082q

Reference yield:

4-nitro-benzoic acid (62-23-7) → N-(3-aminopropyl)-4-nitrobenzamide (88342-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / Heating

2: AcOH / 2 h / 20 °C

With thionyl chloride; acetic acid; 1: Chlorination / 2: Acylation;

DOI:10.1248/cpb.48.808

upstream raw materials:

4-nitro-benzoyl chloride

Trimethylenediamine

4-nitro-benzoic acid

Downstream raw materials:

N-3-{N',N'-bis[(6'-bromo-2,2'-bipyridine-6-yl)methyl]aminopropyl}-4-nitrobenzamide