2-Bromo-3-phenylpropanenitrile

Base Information

• Chemical Name: 2-Bromo-3-phenylpropanenitrile
• CAS No.: 62448-27-5
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.073
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20407072
• Nikkaji Number: J502.312B
• Mol file: 62448-27-5.mol

Synonyms:2-bromo-3-phenylpropanenitrile;62448-27-5;3-phenyl-2-bromopropionitrile;2-bromo-3-phenyl-propionitrile;SCHEMBL10710462;DTXSID20407072;MFCD06655784;AKOS002535976;AKOS017274172;BS-29240;EN300-13308

Chemical Property of 2-Bromo-3-phenylpropanenitrile

Chemical Property:

• Vapor Pressure: 0.0064mmHg at 25°C
• Boiling Point: 271.6°C at 760 mmHg
• Flash Point: 118°C
• PSA: 23.79000
• Density: 1.441g/cm³
• LogP: 2.51618
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.98401
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-3-phenylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-3-phenylpropanenitrile

There total 8 articles about 2-Bromo-3-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: 70.0%

→ 2-bromo-3-phenylpropanenitrile (62448-27-5)

Guidance literature:

Reference yield:

bromobenzene (108-86-1,52753-63-6) + acrylonitrile (107-13-1,25014-41-9) → 2-bromo-3-phenylpropanenitrile (62448-27-5)

Guidance literature:

With 3-tert-butylbenzene-1,2-diol; copper(l) chloride; In dimethyl sulfoxide; for 30h; Irradiation;

DOI:10.1016/S0040-4039(00)92199-3

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + aniline (62-53-3) → 2-bromo-3-phenylpropanenitrile (62448-27-5)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile;

DOI:10.1021/jo00434a018

upstream raw materials:

α-bromo-β-phenylpropionamide

benzene diazonium chloride

acrylonitrile

aniline

Downstream raw materials:

α-bromo-β-phenylpropionamide

hydrogen cyanide

Cinnamic acid

2-bromo-3-phenylpropanoic acid

Refernces

• 1、 Mitani, Michiharu,Nakayama, Masao,Koyama, Kikuhiko. "THE CUPROUS CHLORIDE CATALYZED ADDITION OF HALOGEN COMPOUNDS TO OLEFINS UNDER PHOTO-IRRADIATION". . p. 4457 - 4460. Retrieved 2007/10/02.