4-(3-Chloro-2-oxopropyl)benzonitrile

Base Information

Chemical Name:4-(3-Chloro-2-oxopropyl)benzonitrile
CAS No.:62043-70-3
Molecular Formula:C10H8ClNO
Molecular Weight:193.633
Hs Code.:
European Community (EC) Number:862-007-2
DSSTox Substance ID:DTXSID10491783
Nikkaji Number:J3.375.685B

Synonyms:4-(3-Chloro-2-oxopropyl)benzonitrile;62043-70-3;SCHEMBL12374116;DTXSID10491783;EN300-253693;Z1262480658

Suppliers and Price of 4-(3-Chloro-2-oxopropyl)benzonitrile

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

TRC
4-(3-chloro-2-oxopropyl)benzonitrile
100mg
$ 330.00

TRC
4-(3-chloro-2-oxopropyl)benzonitrile
50mg
$ 220.00

Total 1 raw suppliers

Chemical Property of 4-(3-Chloro-2-oxopropyl)benzonitrile

Chemical Property:

PSA：40.86000
LogP:1.90868
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:193.0294416
Heavy Atom Count:13
Complexity:222

Purity/Quality:: 4-(3-chloro-2-oxopropyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CC(=O)CCl)C#N

Technology Process of 4-(3-Chloro-2-oxopropyl)benzonitrile

There total 4 articles about 4-(3-Chloro-2-oxopropyl)benzonitrile 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: 47.0%

: 5462-71-5
4-cyanophenylacetic acid

: 67442-07-3
2-chloro-N-methoxy-N-methylacetamide

: 2-(4-cyanophenyl)-4-(methoxy-(methyl)amino)-4-oxobutanoic acid

: 62043-70-3
4-(3-chloro-2-oxopropyl)benzonitrile

Guidance literature:: 4-cyanophenylacetic acid; With isopropylmagnesium chloride; In tetrahydrofuran; at -10 - 25 ℃; for 1.5h; Inert atmosphere; Schlenk technique;

2-chloro-N-methoxy-N-methylacetamide; In tetrahydrofuran; at 0 - 5 ℃; for 1.25h; Inert atmosphere; Schlenk technique;
DOI:10.1021/jo5016486

Reference yield:

: 79-04-9
chloroacetyl chloride

: 874-86-2
4-cyanobenzyl chloride

: 62043-70-3
4-(3-chloro-2-oxopropyl)benzonitrile

Guidance literature:: 4-cyanobenzyl chloride; With iodine; zinc; In N,N-dimethyl acetamide; at 80 ℃;

chloroacetyl chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl acetamide; at 20 ℃;
DOI:10.1021/jm060631p