3-Anilinopropanamide

Base Information

• Chemical Name: 3-Anilinopropanamide
• CAS No.: 21017-47-0
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• DSSTox Substance ID: DTXSID50429267
• Wikidata: Q82242260
• Mol file: 21017-47-0.mol

Synonyms:3-anilinopropanamide;3-(Phenylamino)propanamide;21017-47-0;Propanamide, 3-(phenylamino)-;HMS1773A08;N-phenyl-b-aminopropionamide;SCHEMBL1531486;DTXSID50429267;AKOS003615677;MB02383;NCGC00339657-01;CS-0241636;FT-0692077;EN300-23559;AB01111791-03;Z154666194

Chemical Property of 3-Anilinopropanamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 411.521°C at 760 mmHg
• Flash Point: 202.681°C
• Density: 1.151g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

3-(phenylamino)propanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NCCC(=O)N

Technology Process of 3-Anilinopropanamide

There total 6 articles about 3-Anilinopropanamide 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: 90.0%

2-propenamide (79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5) + aniline (62-53-3) → 3-(phenylamino)propanamide (21017-47-0)

Guidance literature:

With aluminum oxide; In neat (no solvent); at 95 ℃; for 7h; Green chemistry;

DOI:10.3390/molecules21060815

Reference yield: 84.0%

→ 3-(phenylamino)propanamide (21017-47-0)

Guidance literature:

With Imidazole hydrochloride; at 120 ℃; for 4h;

Reference yield: 76.0%

aniline (62-53-3) + cyanoacetic acid amide (107-91-5) → 3-(phenylamino)propanamide (21017-47-0)

Guidance literature:

With polymethylhydrosiloxane; palladium dihydroxide; In ethanol; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2007.02.050

upstream raw materials:

N-cyanoethylaniline

4-bromo-aniline

cyanoacetic acid amide

aniline

Downstream raw materials:

N-(4-nitroso-phenyl)-β-alanine amide

N,N-diethyl-3-phenylaminopropionamide

methyl 3-(phenylamino)propanoate

aniline

Refernces

• 1、 Dai, Zeshu,Li, Dan,Li, Yanwu,Li, Zhiyao,Luo, Wen,Shang, Suqin,Tian, Qingqiang,Wang, Xuetong,Yuan, Jianyong,Zhang, Ying. "Michael addition reaction catalyzed by imidazolium chloride to protect amino groups and construct medium ring heterocycles". supporting information. . Retrieved 2019/12/04.
• 2、 Bosica, Giovanna,Abdilla, Roderick. "Aza-Michael mono-addition using acidic alumina under solventless conditions". . . Retrieved 2016/07/07.