N-(4-aminophenyl)-3-(dimethylamino)propanamide

Base Information

• Chemical Name: N-(4-aminophenyl)-3-(dimethylamino)propanamide
• CAS No.: 854813-77-7
• Molecular Formula: C11H17N3O
• Molecular Weight: 207.275
• DSSTox Substance ID: DTXSID00588510
• Wikidata: Q82481218
• Mol file: 854813-77-7.mol

Synonyms:N-(4-aminophenyl)-3-(dimethylamino)propanamide;854813-77-7;Propanamide, N-(4-aminophenyl)-3-(dimethylamino)-;SCHEMBL1429661;DTXSID00588510;VKAVYGKNHRWNLO-UHFFFAOYSA-N;AKOS000143219;MCULE-6359282128;EN300-57842;G23034;N-(4-Aminophenyl)-N~3~,N~3~-dimethyl-beta-alaninamide;Z270759016

Chemical Property of N-(4-aminophenyl)-3-(dimethylamino)propanamide

Chemical Property:

• PSA: 58.36000
• LogP: 1.81320
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.137162174
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

N-(4-aminophenyl)-3-(dimethylamino)propanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-aminophenyl)-3-(dimethylamino)propanamide

There total 3 articles about N-(4-aminophenyl)-3-(dimethylamino)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: 98.0%

3-dimethylamino-N-(4-nitro-phenyl)-propionamide (854813-63-1) → N-(4-amino-phenyl)-3-dimethylamino-propionamide (854813-77-7)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In methanol; at 20 ℃;

DOI:10.1021/jm801245v

Reference yield:

3-chloro-N-(4-nitrophenyl)propanamide (19313-88-3) → N-(4-amino-phenyl)-3-dimethylamino-propionamide (854813-77-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / methanol / 0 - 20 °C

2: 46 percent / ammonium formate; Pd/C / dimethylformamide / 16 h / 20 °C

With palladium on activated charcoal; ammonium formate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/ja0661919

Reference yield:

4-nitro-aniline (100-01-6,104810-17-5) → N-(4-amino-phenyl)-3-dimethylamino-propionamide (854813-77-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / 16 h / 50 °C

2: 82 percent / methanol / 0 - 20 °C

3: 46 percent / ammonium formate; Pd/C / dimethylformamide / 16 h / 20 °C

With palladium on activated charcoal; ammonium formate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/ja0661919

upstream raw materials:

3-dimethylamino-N-(4-nitro-phenyl)-propionamide

3-chloro-N-(4-nitrophenyl)propanamide

4-nitro-aniline

Downstream raw materials:

N-(4-(3-(4-(bis(2-chloroethyl)amino)phenyl)ureido)-phenyl)-3-(dimethylamino)propanamide

N₄,N₅-bis(4-(3-(dimethylamino)propanamido)phenyl)-9,10-dihydro-9-oxoacridine-4,5-dicarboxamide

1,3-bis(3-(4-(3-(dimethylamino)propanamido)phenylcarbamoyl)phenyl)urea

N-(4-azido-phenyl)-3-dimethylamino-propionamide

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