2-Amino-3-(2-aminoethyl)benzonitrile

Base Information

• Chemical Name: 2-Amino-3-(2-aminoethyl)benzonitrile
• CAS No.: 96631-88-8
• Molecular Formula: C9H11 N3
• Molecular Weight: 0
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID401289352
• Mol file: 96631-88-8.mol

Synonyms:2-Amino-3-(2-aminoethyl)benzonitrile;96631-88-8;DTXSID401289352;AKOS022636266

Chemical Property of 2-Amino-3-(2-aminoethyl)benzonitrile

Chemical Property:

• Melting Point: 55-56 °C
• Boiling Point: 347.3±32.0 °C (760 mmHg)
• PSA: 75.83000
• Density: 1.15±0.1 g/cm3(20 °C , 760mmHg)
• LogP: 1.92318
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-(2-aminoethyl)benzonitrile

There total 2 articles about 2-Amino-3-(2-aminoethyl)benzonitrile 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: 44.0%

trans-3-cyano-β-dimethylamino-2-nitrostyrene (114343-99-6) → 1H-indole-7-carbonitrile (96631-87-7) + β-(2-amino-3-cyanophenyl)ethylamine (96631-88-8) + di-(7-indolylmethyl)amine hydrochloride (96631-86-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 2h; under 2585.7 Torr; Product distribution; var.solvents - benzene, methanol;

Reference yield: 26.0%

trans-3-cyano-β-dimethylamino-2-nitrostyrene (114343-99-6) → 1H-indole-7-carbonitrile (96631-87-7) + 7-carboxamidoindole (1670-89-9) + β-(2-amino-3-cyanophenyl)ethylamine (96631-88-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In benzene; for 2h; under 2585.7 Torr;

upstream raw materials:

trans-3-cyano-β-dimethylamino-2-nitrostyrene