2-(3-Chlorophenyl)-3-oxobutanenitrile

Base Information

Chemical Name:2-(3-Chlorophenyl)-3-oxobutanenitrile
CAS No.:14123-79-6
Molecular Formula:C10H8ClNO
Molecular Weight:193.633
Hs Code.:
DSSTox Substance ID:DTXSID301291106
Mol file:14123-79-6.mol

Synonyms:2-(3-chlorophenyl)-3-oxobutanenitrile;14123-79-6;1-(3-chlorophenyl)-2-oxopropyl cyanide;SCHEMBL4170398;MNRQQONRVUGHLY-UHFFFAOYSA-N;DTXSID301291106;MFCD08685449;AKOS002658235;AKOS016048315;alpha-Acetyl-3-chlorobenzeneacetonitrile;2-(3-Chloro-phenyl)-3-oxo-butyronitrile;CS-0246250;EN300-320882;AT-057/43469711

Suppliers and Price of 2-(3-Chlorophenyl)-3-oxobutanenitrile

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 4 raw suppliers

Chemical Property of 2-(3-Chlorophenyl)-3-oxobutanenitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:193.0294416
Heavy Atom Count:13
Complexity:243

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Chlorophenyl)-3-oxobutanenitrile

There total 3 articles about 2-(3-Chlorophenyl)-3-oxobutanenitrile 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: 50.0%

: 1529-41-5
3-chloro-benzeneacetonitrile

: 141-78-6
ethyl acetate

: 14123-79-6
2-(3-chloro-phenyl)-acetoacetonitrile

Guidance literature:: With ethanol; sodium; at 20 ℃; for 2h;

3-chloro-benzeneacetonitrile; ethyl acetate; for 5h; Heating / reflux;

Reference yield:

: 1529-41-5
3-chloro-benzeneacetonitrile

: 75-36-5
acetyl chloride

: 14123-79-6
2-(3-chloro-phenyl)-acetoacetonitrile

Guidance literature:: 3-chloro-benzeneacetonitrile; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.166667h;

acetyl chloride; In tetrahydrofuran; at -78 ℃; Further stages.;
DOI:10.1021/jm010131q