1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile

Base Information

Chemical Name:1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile
CAS No.:65619-29-6
Molecular Formula:C13H12ClNO
Molecular Weight:233.697
Hs Code.:2926907090
DSSTox Substance ID:DTXSID001229011
Mol file:65619-29-6.mol

Synonyms:1-(3-chlorophenyl)-4-oxocyclohexanecarbonitrile;65619-29-6;4-Cyano-4-(3-chlorophenyl)cyclohexanone;1-(3-CHLOROPHENYL)-4-OXOCYCLOHEXANE-1-CARBONITRILE;1037197-39-9;SCHEMBL4429705;DTXSID001229011;CS-0331467;Cyclohexanecarbonitrile, 1-(3-chlorophenyl)-4-oxo-;J-503127

Suppliers and Price of 1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile

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

Crysdot
1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile 95+%
1g
$ 551.00

Chemenu
1-(3-chlorophenyl)-4-oxocyclohexane-1-carbonitrile 95%
1g
$ 520.00

Apolloscientific
4-Cyano-4-(3-chlorophenyl)cyclohexanone 97%
500mg
$ 348.00

American Custom Chemicals Corporation
1-(3-CHLOROPHENYL)-4-OXOCYCLOHEXANECARBONITRILE 95.00%
5MG
$ 505.77

Alichem
1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile
1g
$ 567.45

Acrotein
4-Cyano-4-(3-chlorophenyl)cyclohexanone 97%
5g
$ 788.33

Acrotein
4-Cyano-4-(3-chlorophenyl)cyclohexanone 97%
0.5g
$ 146.67

Total 9 raw suppliers

Chemical Property of 1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile

Chemical Property:

PSA：40.86000
LogP:3.24448
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:233.0607417
Heavy Atom Count:16
Complexity:320

Purity/Quality:

≥95% ^*data from raw suppliers

1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile 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=CC(=CC=C2)Cl

Technology Process of 1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile

There total 4 articles about 1-(3-Chlorophenyl)-4-oxocyclohexanecarbonitrile 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%

: 65619-25-2
5-(3-chlorophenyl)-5-cyano-2-oxo-cyclohexanecarboxylic acid methyl ester

: 65619-29-6
1-(3-chlorophenyl)-4-oxocyclohexanecarbonitrile

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

Reference yield:

: 1529-41-5
3-chloro-benzeneacetonitrile

: 65619-29-6
1-(3-chlorophenyl)-4-oxocyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: tetramethyl ammoniumhydroxide

2: potassium tert-butylate

3: sulfuric acid; acetic acid

With sulfuric acid; potassium tert-butylate; tetramethyl ammoniumhydroxide; acetic acid;

Reference yield:

: 65619-21-8
4-(3-chloro-phenyl)-4-cyanoheptanedioic acid dimethyl ester.

: 65619-29-6
1-(3-chlorophenyl)-4-oxocyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: potassium tert-butylate

2: sulfuric acid; acetic acid

With sulfuric acid; potassium tert-butylate; acetic acid;