3-Bromo-5,5-dimethyl-2-cyclohexen-1-one

Base Information

Chemical Name:3-Bromo-5,5-dimethyl-2-cyclohexen-1-one
CAS No.:13271-49-3
Molecular Formula:C8H11 Br O
Molecular Weight:203.079
Hs Code.:2914700090
UNII:8GST9D0140
DSSTox Substance ID:DTXSID40157724
Nikkaji Number:J905.593B
Wikidata:Q27270443
Mol file:13271-49-3.mol

Synonyms:3-Bromo-5,5-dimethyl-2-cyclohexen-1-one;13271-49-3;3-bromo-5,5-dimethylcyclohex-2-en-1-one;5,5-Dimethyl-3-bromocyclohex-2-enone;2-Cyclohexenone,3-bromo,5,5-dimethyl-;8GST9D0140;3-Bromo-5,5-dimethyl-cyclohex-2-enone;UNII-8GST9D0140;2-Cyclohexenone, 3-bromo-5,5-dimethyl-;SCHEMBL678779;DTXSID40157724;3-bromo-5,5-dimethylcyclohex-2-enon;2-Cyclohexen-1-one, 3-bromo-5,5-dimethyl-;3-Bromo-5,5-dimethyl-2-cyclohexen-1-one #;3-BROMO-5,5-DIMETHYL-2-CYCLOHEXENONE;EN300-7672924;Q27270443

Suppliers and Price of 3-Bromo-5,5-dimethyl-2-cyclohexen-1-one

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

Total 4 raw suppliers

Chemical Property of 3-Bromo-5,5-dimethyl-2-cyclohexen-1-one

Chemical Property:

Vapor Pressure:0.103mmHg at 25°C
Boiling Point:222.2°Cat760mmHg
Flash Point:53.7°C
PSA：17.07000
Density:1.381g/cm³
LogP:2.65430
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:201.99933
Heavy Atom Count:10
Complexity:191

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=CC(=O)C1)Br)C

Technology Process of 3-Bromo-5,5-dimethyl-2-cyclohexen-1-one

There total 9 articles about 3-Bromo-5,5-dimethyl-2-cyclohexen-1-one 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: 99.0%

: 126-81-8
dimedone

: 13271-49-3
3-bromo-5,5-dimethlycyclohex-2-en-1-one

Guidance literature:: With Oxalyl bromide; N,N-dimethyl-formamide; In dichloromethane; 0 deg C, 5 min, then to room temp., 30 min;
DOI:10.1016/S0040-4039(01)80646-8

Reference yield: 87.0%

: 18922-00-4
5,5-dimethyl-3-oxocyclohex-1-en-1-yl methanesulfonate

: 13271-49-3
3-bromo-5,5-dimethlycyclohex-2-en-1-one

Guidance literature:: With BzNEt₃Br; boron trifluoride diethyl etherate; In dichloromethane; for 5h; Ambient temperature;
DOI:10.1021/jo00314a051