2-Bromo-5,5-dimethylcyclohex-2-en-1-one

Base Information

Chemical Name:2-Bromo-5,5-dimethylcyclohex-2-en-1-one
CAS No.:142672-83-1
Molecular Formula:C8H11BrO
Molecular Weight:203.07600
Hs Code.:
DSSTox Substance ID:DTXSID10605121

Synonyms:2-Bromo-5,5-dimethylcyclohex-2-en-1-one;142672-83-1;SCHEMBL11616927;DTXSID10605121

Suppliers and Price of 2-Bromo-5,5-dimethylcyclohex-2-en-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Bromo-5,5-dimethylcyclohex-2-en-1-one

Chemical Property:

PSA：17.07000
LogP:2.65430
XLogP3:2.6
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-5,5-dimethylcyclohex-2-en-1-one

There total 2 articles about 2-Bromo-5,5-dimethylcyclohex-2-en-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: 93.0%

: 4694-17-1
5,5-dimethlycyclohex-2-en-1-one

: 142672-83-1
2-bromo-5,5-dimethylcyclohex-2-enone

Guidance literature:: 5,5-dimethlycyclohex-2-en-1-one; With bromine; In tetrachloromethane; at 0 ℃; for 0.583333h;

With triethylamine; In tetrachloromethane; at 0 - 20 ℃;
DOI:10.1021/ja1073855

Reference yield:

: 142672-83-1
2-bromo-5,5-dimethylcyclohex-2-enone

Guidance literature:: 5,5-Dimethyl-2-cyclohexenon, Brom, CCl4;

Reference yield:

: 142672-83-1
2-bromo-5,5-dimethylcyclohex-2-enone

: C₂₁H₂₈N₂O₅

: (4R,4aS,6R)-6-(3,3-dimethyl-6-oxocyclohex-1-en-1-yl)-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

Guidance literature:: With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; triethylamine; 4,4'-di-tert-butyl-2,2'-bipyridine; In acetone; at 20 ℃; for 36h; Glovebox; Sealed tube; Irradiation;
DOI:10.1021/jacs.1c05092