2-(4-Aminophenyl)propanenitrile

Base Information

• Chemical Name: 2-(4-Aminophenyl)propanenitrile
• CAS No.: 28694-90-8
• Molecular Formula: C9H10 N2
• Molecular Weight: 146.192
• Hs Code.: 2926909090
• European Community (EC) Number: 249-164-7
• DSSTox Substance ID: DTXSID50951351
• Nikkaji Number: J250.761G
• Mol file: 28694-90-8.mol

Synonyms:2-(4-aminophenyl)propanenitrile;28694-90-8;2-(4-Aminophenyl)propiononitrile;EINECS 249-164-7;4-aminophenylpropionitrile;2-(p-aminophenyl)propionitrile;SCHEMBL4145904;2-(4-aminophenyl) propionitrile;AMY2743;DTXSID50951351;2-(4-Amino-phenyl)-propionitrile;MFCD09865026;AKOS005073528;4-Amino-alpha-methylbenzeneacetonitrile;MB-0701;CS-0211117;FT-0681207;EN300-6456928;A876660;J-505895

Chemical Property of 2-(4-Aminophenyl)propanenitrile

Chemical Property:

• Vapor Pressure: 0.000788mmHg at 25°C
• Melting Point: 55-57°C
• Boiling Point: 306.1°Cat760mmHg
• Flash Point: 138.9°C
• PSA: 49.81000
• Density: 1.081g/cm³
• LogP: 2.47708
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Aminophenyl)propanenitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)C1=CC=C(C=C1)N

Technology Process of 2-(4-Aminophenyl)propanenitrile

There total 4 articles about 2-(4-Aminophenyl)propanenitrile 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: 94.1%

2-(4-nitrophenyl)-propionitrile (50712-63-5) → 2-(4-aminophenyl)-propionitrile (28694-90-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; at 20 ℃; for 0.5h; under 1448.05 - 2430.66 Torr;

Reference yield: 89.0%

→ 2-(4-aminophenyl)-propionitrile (28694-90-8)

Guidance literature:

With nickel(II) chloride hexahydrate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; zinc; In 1,4-dioxane; water; at 80 ℃; for 4h; Glovebox; Inert atmosphere;

Reference yield: 80.0%

p-aminophenylacetonitrile (3544-25-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-(4-aminophenyl)-propionitrile (28694-90-8)

Guidance literature:

With dimethylamine borane; sodium t-butanolate; at 80 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1002/anie.201804794

upstream raw materials:

2-(4-nitrophenyl)-propionitrile

p-aminophenylacetonitrile

N,N-dimethyl-formamide

ethyl 2-cyanopropionate

Downstream raw materials:

2-amino-α-methyl benzothiazole-6-acetonitrile

2-(4'-amino-3'-nitro-phenyl)-propionic acid

N-[4-(cyano-methyl-methyl)-phenyl]-acetamide

N-[4-(cyano-methyl-methyl)-2-nitro-phenyl]-acetamide