1-(4-Aminophenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(4-Aminophenyl)cyclopropanecarbonitrile
• CAS No.: 108858-86-2
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2926909090
• European Community (EC) Number: 881-749-8
• Mol file: 108858-86-2.mol

Synonyms:1-(4-Aminophenyl)cyclopropanecarbonitrile;108858-86-2;1-(4-aminophenyl)cyclopropane-1-carbonitrile;MFCD16622255;SCHEMBL995890;JTMAWZMLYUMWKL-UHFFFAOYSA-N;AKOS026675727;SB76373;SY225539;TS-02107;1-(4-Amino-phenyl)-cyclopropanecarbonitrile;CS-0440937

Chemical Property of 1-(4-Aminophenyl)cyclopropanecarbonitrile

Chemical Property:

• Boiling Point: 351.2±35.0 °C(Predicted)
• PKA: 5.01±0.10(Predicted)
• PSA: 49.81000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.40518
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Aminophenyl)cyclopropanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C#N)C2=CC=C(C=C2)N

Technology Process of 1-(4-Aminophenyl)cyclopropanecarbonitrile

There total 5 articles about 1-(4-Aminophenyl)cyclopropanecarbonitrile 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%

1-(4-nitrophenyl)-1-cyclopropylcarbonitrile (408328-42-7) → 1-(4-aminophenyl)cyclopropanecarbonitrile (108858-86-2)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 50 ℃; for 0.75h; Inert atmosphere;

Reference yield:

4-(cyanomethyl)benzoic acid (50685-26-2) → 1-(4-aminophenyl)cyclopropanecarbonitrile (108858-86-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / water / 0 - 20 °C

2: diphenyl phosphoryl azide; triethylamine / tert-butyl alcohol / 3.5 h / 95 °C

With sodium hydroxide; diphenyl phosphoryl azide; N-benzyl-N,N,N-triethylammonium chloride; triethylamine; In water; tert-butyl alcohol;

Reference yield:

4-(1-cyanocyclopropyl)benzoic acid (915020-91-6) → 1-(4-aminophenyl)cyclopropanecarbonitrile (108858-86-2)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; In tert-butyl alcohol; at 95 ℃; for 3.5h;

upstream raw materials:

1-(4-nitrophenyl)-1-cyclopropylcarbonitrile

4-(1-cyanocyclopropyl)benzoic acid

4-Nitrophenylacetonitrile

4-(cyanomethyl)benzoic acid

Downstream raw materials:

1-(4-amino-3-bromo-phenyl)-cyclopropanecarbonitrile