4-Bromocyclohexanone

Base Information

Chemical Name:4-Bromocyclohexanone
CAS No.:22460-52-2
Molecular Formula:C6H9BrO
Molecular Weight:177.041
Hs Code.:2914700090
European Community (EC) Number:855-838-7
DSSTox Substance ID:DTXSID00464683
Nikkaji Number:J1.070.549E
Wikidata:Q72453888
Mol file:22460-52-2.mol

Synonyms:4-Bromocyclohexanone;4-bromocyclohexan-1-one;22460-52-2;MFCD20621393;Cyclohexanone, 4-bromo-;mono-bromocyclohexanone;SCHEMBL3839916;DTXSID00464683;OMCGWSBEIHGWOH-UHFFFAOYSA-N;XAA46052;AKOS026730019;PS-15546;SY275581;CS-0139183;C77503;EN300-139262

Suppliers and Price of 4-Bromocyclohexanone

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-Bromocyclohexanone
5g
$ 840.00

SynQuest Laboratories
4-Bromocyclohexan-1-one 95%
250 mg
$ 695.00

SynQuest Laboratories
4-Bromocyclohexan-1-one 95%
100 mg
$ 495.00

Acrotein
4-Bromocyclohexanone 97%
0.25g
$ 146.67

Total 16 raw suppliers

Chemical Property of 4-Bromocyclohexanone

Chemical Property:

Boiling Point:95-100℃ (5 Torr)
PSA：17.07000
Density:1.509±0.06 g/cm3(Predicted)
LogP:1.89300
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:175.98368
Heavy Atom Count:8
Complexity:90.7

Purity/Quality:

98%Min ^*data from raw suppliers

4-Bromocyclohexanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)CCC1Br
Uses 4-Bromocyclohexanone is an organic building block, used as a reactant in the preparation of alkylbenzenes via nickel-catalyzed cross-coupling with arylfluorosilanes.

Technology Process of 4-Bromocyclohexanone

There total 6 articles about 4-Bromocyclohexanone 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: 63.0%

: 89599-47-3
4-bromocyclohexanol

: 22460-52-2
4-bromocyclohexan-1-one

Guidance literature:: With pyridinium chlorochromate; In dichloromethane; for 2h;
DOI:10.1021/jo00231a032

Reference yield: 59.0%

: 23511-04-8
4-oxocyclohexyl 4-methylbenzenesulfonate

: 22460-52-2
4-bromocyclohexan-1-one

Guidance literature:: With lithium bromide; In acetone; Heating;
DOI:10.1021/jo001292p

Reference yield:

: 13482-22-9
4-hydroxycyclohexanone

: 22460-52-2
4-bromocyclohexan-1-one

Guidance literature:: With 3-ethyl-2-chlorobenzoxazolium tetrafluoroborate; tetrabutylammomium bromide; In acetonitrile; at 25 ℃;
DOI:10.1021/acscatal.1c04239