1-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile

Base Information

Chemical Name:1-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile
CAS No.:65619-28-5
Molecular Formula:C13H12BrNO
Molecular Weight:278.148
Hs Code.:2926909090
DSSTox Substance ID:DTXSID40503808
Wikidata:Q82357859

Synonyms:1-(4-bromophenyl)-4-oxocyclohexanecarbonitrile;65619-28-5;1-(4-Bromophenyl)-4-oxocyclohexane-1-carbonitrile;4-Cyano-4-(4-bromophenyl)cyclohexanone;SCHEMBL2288499;DTXSID40503808;CS-0454582;FT-0735144;J-503254

Suppliers and Price of 1-(4-Bromophenyl)-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-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile 95+%
1g
$ 551.00

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

American Custom Chemicals Corporation
1-(4-BROMOPHENYL)-4-OXOCYCLOHEXANECARBONITRILE 95.00%
5MG
$ 503.38

Alichem
1-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile
1g
$ 567.45

Alichem
1-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile
250mg
$ 245.70

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

Total 11 raw suppliers

Chemical Property of 1-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile

Chemical Property:

PSA：40.86000
LogP:3.35358
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:277.01023
Heavy Atom Count:16
Complexity:312

Purity/Quality:

99.90% ^*data from raw suppliers

1-(4-Bromophenyl)-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=C(C=C2)Br

Technology Process of 1-(4-Bromophenyl)-4-oxocyclohexanecarbonitrile

There total 7 articles about 1-(4-Bromophenyl)-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: 70.0%

: 65619-24-1
4-(p-Bromphenyl)-2-carbomethoxy-4-cyano-cyclohexanon

: 65619-28-5
1-(4-bromophenyl)-4-oxocyclohexane-1-carbonitrile

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

Reference yield:

: 16532-79-9
4-Bromophenylacetonitrile

: 140-88-5,9003-32-1
ethyl acrylate

: 65619-28-5
1-(4-bromophenyl)-4-oxocyclohexane-1-carbonitrile

Guidance literature:: 4-Bromophenylacetonitrile; ethyl acrylate; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 3h;

With dimethyl sulfoxide; sodium chloride; In water; at 150 ℃; for 2h;

Reference yield:

: 626603-27-8
1-(4-bromophenyl)cyclohexane-1-carbonitrile

: 65619-28-5
1-(4-bromophenyl)-4-oxocyclohexane-1-carbonitrile

: 1-(4-bromophenyl)-3-oxocyclohexane-1-carbonitrile

Guidance literature:: With (R,R)-Mn(CF₃-PDP)(MeCN)2(SbF₆)2; dihydrogen peroxide; chloroacetic acid; In water; acetonitrile; at 0 ℃; for 3h; Overall yield = 64 %; chemoselective reaction;
DOI:10.1038/s41557-018-0175-8