1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile

Base Information

Chemical Name:1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile
CAS No.:65619-31-0
Molecular Formula:C13H11Cl2NO
Molecular Weight:268.13900
Hs Code.:2926909090
ChEMBL ID:CHEMBL4998903
DSSTox Substance ID:DTXSID00503809
Mol file:65619-31-0.mol

Synonyms:65619-31-0;1-(2,4-DICHLOROPHENYL)-4-OXOCYCLOHEXANECARBONITRILE;1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile;MFCD11849769;4-Cyano-4-(2,4-dichlorophenyl)cyclohexanone;CHEMBL4998903;SCHEMBL11093050;DTXSID00503809;AKOS023281567;SY279748;CS-0322709

Suppliers and Price of 1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile

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

Chemenu
1-(2,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile 95%
1g
$ 519.00

Alichem
1-(2,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
1g
$ 573.30

Acrotein
4-Cyano-4-(2,4-dichlorophenyl)cyclohexanone 97%
5g
$ 788.33

Total 8 raw suppliers

Chemical Property of 1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile

Chemical Property:

PSA：40.86000
LogP:3.89788
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:267.0217694
Heavy Atom Count:17
Complexity:350

Purity/Quality:

99.90% ^*data from raw suppliers

1-(2,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CCC1=O)(C#N)C2=C(C=C(C=C2)Cl)Cl

Technology Process of 1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile

There total 3 articles about 1-(2,4-Dichlorophenyl)-4-oxocyclohexane-1-carbonitrile 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: 54.0%

: 65619-27-4
5-Cyano-5-(2,4-dichloro-phenyl)-2-oxo-cyclohexanecarboxylic acid methyl ester

: 65619-31-0
4-(2,4-Dichlorphenyl)-4-cyano-cyclohexanon

Guidance literature:: With sulfuric acid; In acetic acid; for 24h; Heating;
DOI:10.1021/jm00178a014

Reference yield:

: 6306-60-1
2,4-Dichlorophenylacetonitrile

: 65619-31-0
4-(2,4-Dichlorphenyl)-4-cyano-cyclohexanon

Guidance literature:: Multi-step reaction with 2 steps

1: tetramethyl ammoniumhydroxide

2: (i) KOtBu, (ii) aq. H₂SO₄, AcOH

With tetramethyl ammoniumhydroxide;