2-Chloro-3-oxo-3-phenylpropanenitrile

Base Information

Chemical Name:2-Chloro-3-oxo-3-phenylpropanenitrile
CAS No.:22518-21-4
Molecular Formula:C9H6 Cl N O
Molecular Weight:179.606
Hs Code.:2926909090
DSSTox Substance ID:DTXSID40507048
Mol file:22518-21-4.mol

Synonyms:22518-21-4;2-chloro-3-oxo-3-phenylpropanenitrile;chlorobenzoyl acetonitrile;SCHEMBL740918;DTXSID40507048;NS00002217

Suppliers and Price of 2-Chloro-3-oxo-3-phenylpropanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-Chloro-3-oxo-3-phenylpropanenitrile

Chemical Property:

PSA：40.86000
LogP:2.00028
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:179.0137915
Heavy Atom Count:12
Complexity:212

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C(C#N)Cl

Technology Process of 2-Chloro-3-oxo-3-phenylpropanenitrile

There total 7 articles about 2-Chloro-3-oxo-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:

: 614-16-4
Benzoylacetonitrile

: 22518-21-4
2-chlorocyanoacetophenone

Guidance literature:: With sulfuryl dichloride; In chloroform; at 0 ℃; Reflux;
DOI:10.1016/j.bmcl.2010.06.138

Reference yield:

: 79676-04-3
2,2-dichloro-3-dimethylamino-3-phenylpropionitrile

: 22518-21-4
2-chlorocyanoacetophenone

Guidance literature:: Multi-step reaction with 2 steps

1: 61 percent / CH₃ONa / methanol / 24 h / 20 - 25 °C

2: conc. HCl / 0.5 h

With hydrogenchloride; sodium methylate; In methanol;

Reference yield:

: 79676-06-5
2,2-dichloro-3-morpholino-3-phenylpropionitrile

: 22518-21-4
2-chlorocyanoacetophenone

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / CH₃ONa / methanol / 24 h / 20 - 25 °C

2: conc. HCl / 0.5 h

With hydrogenchloride; sodium methylate; In methanol;