3-Amino-4-(cyclopropylamino)benzonitrile

Base Information

• Chemical Name: 3-Amino-4-(cyclopropylamino)benzonitrile
• CAS No.: 918152-17-7
• Molecular Formula: C10H11N3
• Molecular Weight: 173.217
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50656112
• Wikidata: Q82570604
• Mol file: 918152-17-7.mol

Synonyms:3-Amino-4-(cyclopropylamino)benzonitrile;918152-17-7;SCHEMBL8250121;DTXSID50656112;MFCD12189563;AKOS009543600;BS-24797;EN300-85562

Chemical Property of 3-Amino-4-(cyclopropylamino)benzonitrile

Chemical Property:

• PSA: 61.84000
• LogP: 2.36898
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

3-amino-4-(cyclopropylamino)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC2=C(C=C(C=C2)C#N)N

Technology Process of 3-Amino-4-(cyclopropylamino)benzonitrile

There total 2 articles about 3-Amino-4-(cyclopropylamino)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: 100.0%

4-(cyclopropylamino)-3-nitrobenzonitrile (710967-04-7) → 3-amino-4-(cyclopropylamino)benzonitrile (918152-17-7)

Guidance literature:

With thiophene; hydrogen; Raney nickel; In methanol; at 20 ℃; for 1h; under 1125.11 Torr;

Reference yield:

4-fluoro-3-nitrobenzonitrile (1009-35-4) → 3-amino-4-(cyclopropylamino)benzonitrile (918152-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dichloromethane / 4 h / 0 - 20 °C / Inert atmosphere

2: hydrogen; palladium 10% on activated carbon / ethanol / 3 h / 20 °C

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In ethanol; dichloromethane;

Reference yield:

3-amino-4-(cyclopropylamino)benzonitrile (918152-17-7) + 6-methylpyridazine-4-carboxylic acid hydrochloride → N-(5-cyano-2-(cyclopropylamino)phenyl)-6-methylpyridazine-4-carboxamide

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; at 0 - 20 ℃; for 2h; Inert atmosphere;

upstream raw materials:

4-(cyclopropylamino)-3-nitrobenzonitrile

4-fluoro-3-nitrobenzonitrile