2-(3-Chloro-4-nitrophenyl)-2-phenylpropanenitrile

Base Information

• Chemical Name: 2-(3-Chloro-4-nitrophenyl)-2-phenylpropanenitrile
• CAS No.: 55233-09-5
• Molecular Formula: C15H11ClN2O2
• Molecular Weight: 286.713
• DSSTox Substance ID: DTXSID30970560
• Mol file: 55233-09-5.mol

Synonyms:BRN 2293917;55233-09-5;Benzeneacetonitrile, 3-chloro-alpha-methyl-4-nitro-alpha-phenyl-;3-Chloro-alpha-methyl-4-nitro-alpha-phenylbenzeneacetonitrile;2-(3-chloro-4-nitrophenyl)-2-phenylpropanenitrile;DTXSID30970560;LS-29024

Chemical Property of 2-(3-Chloro-4-nitrophenyl)-2-phenylpropanenitrile

Chemical Property:

• Vapor Pressure: 2.29E-07mmHg at 25°C
• Boiling Point: 423.1°Cat760mmHg
• Flash Point: 209.7°C
• Density: 1.303g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 286.0509053
• Heavy Atom Count: 20
• Complexity: 408

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)(C1=CC=CC=C1)C2=CC(=C(C=C2)[N+](=O)[O-])Cl

Technology Process of 2-(3-Chloro-4-nitrophenyl)-2-phenylpropanenitrile

There total 2 articles about 2-(3-Chloro-4-nitrophenyl)-2-phenylpropanenitrile 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:

2-Chloronitrobenzene (88-73-3) + 1-phenylethyl cyanide (1823-91-2) → 2-(3-Chloro-4-nitro-phenyl)-2-phenyl-propionitrile (55233-09-5)

Guidance literature:

With potassium permanganate; sodium amide; Yield given. Multistep reaction; 1.) liq. NH₃, -70 deg C, 1 min; DMF, -70 deg C, 2 min, 2.) -70 deg C, 2 min;

DOI:10.1002/chem.19970031217

Reference yield:

2,4-dichloronitrobenzene (611-06-3) + 1-phenylethyl cyanide (1823-91-2) → 2-(3-Chloro-4-nitro-phenyl)-2-phenyl-propionitrile (55233-09-5)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride;

DOI:10.1016/S0040-4020(01)90658-1

Reference yield:

2-(3-Chloro-4-nitro-phenyl)-2-phenyl-propionitrile (55233-09-5) → 2-(4-Amino-3-chloro-phenyl)-2-phenyl-propionitrile (62567-81-1)

Guidance literature:

With hydrogenchloride; iron;

upstream raw materials:

2,4-dichloronitrobenzene

1-phenylethyl cyanide

2-Chloronitrobenzene

Downstream raw materials:

2-(4-Amino-3-chloro-phenyl)-2-phenyl-propionitrile