N-[3-(dimethylamino)propyl]-4-nitrobenzamide

Base Information

• Chemical Name: N-[3-(dimethylamino)propyl]-4-nitrobenzamide
• CAS No.: 88452-44-2
• Molecular Formula: C12H17N3O3
• Molecular Weight: 251.28200
• DSSTox Substance ID: DTXSID50367251
• Wikidata: Q82152980
• Mol file: 88452-44-2.mol

Synonyms:N-[3-(dimethylamino)propyl]-4-nitrobenzamide;88452-44-2;CBMicro_011667;Benzamide, N-[3-(dimethylamino)propyl]-4-nitro-;Cambridge id 5562858;SCHEMBL4505769;DTXSID50367251;SMSF0006185;STK052924;AKOS001648164;CB14838;BIM-0011699.P001;EU-0009786

Chemical Property of N-[3-(dimethylamino)propyl]-4-nitrobenzamide

Chemical Property:

• Boiling Point: 431.7±30.0 °C(Predicted)
• PSA: 78.16000
• Density: 1.169±0.06 g/cm3(Predicted)
• LogP: 2.19040
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.12699141
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

N-[3-(DIMETHYLAMINO)PROPYL]-4-NITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of N-[3-(dimethylamino)propyl]-4-nitrobenzamide

There total 2 articles about N-[3-(dimethylamino)propyl]-4-nitrobenzamide 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) + 1-amino-3-(dimethylamino)propane (109-55-7) → N-(3-dimethylamino-propyl)-4-nitro-benzamide (88452-44-2)

Guidance literature:

With pyridine; dmap; In dichloromethane;

DOI:10.1016/j.ejmech.2003.11.005

Reference yield:

→ N-(3-dimethylamino-propyl)-4-nitro-benzamide (88452-44-2)

Guidance literature:

Reference yield:

N-(3-dimethylamino-propyl)-4-nitro-benzamide (88452-44-2) → 4-amino-N-(3-(dimethylamino)propyl)benzamide (53461-08-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; pH=4;

DOI:10.1016/j.ejmech.2003.11.005

upstream raw materials:

4-nitro-benzoyl chloride

1-amino-3-(dimethylamino)propane

Downstream raw materials:

4-amino-N-(3-(dimethylamino)propyl)benzamide