4-(3-Oxobutyl)cyclohex-3-en-1-one

Base Information

Chemical Name:4-(3-Oxobutyl)cyclohex-3-en-1-one
CAS No.:81842-43-5
Molecular Formula:C₁₀H₁₄O₂
Molecular Weight:166.22
Hs Code.:
DSSTox Substance ID:DTXSID30528545
Wikidata:Q82398267

Synonyms:4-(3-Oxobutyl)cyclohex-3-en-1-one;81842-43-5;DTXSID30528545

Suppliers and Price of 4-(3-Oxobutyl)cyclohex-3-en-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 1 raw suppliers

Chemical Property of 4-(3-Oxobutyl)cyclohex-3-en-1-one

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:166.099379685
Heavy Atom Count:12
Complexity:226

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC1=CCC(=O)CC1

Technology Process of 4-(3-Oxobutyl)cyclohex-3-en-1-one

There total 3 articles about 4-(3-Oxobutyl)cyclohex-3-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:

: 81842-41-3
6,6-(ethylenedioxy)-3-<3,3-(ethylenedioxy)butyl>-3-(phenylsulfonyl)cyclohexene

: 81842-43-5
4-(3-oxybutyl)-3-cyclohexenone

Guidance literature:: With disodium hydrogenphosphate; Na(Hg)x; pyridinium p-toluenesulfonate; Yield given. Multistep reaction; 1.) CH₃OH₁ h, 2.) wet acetone, 18 h;
DOI:10.1021/jo00173a040

Reference yield:

: 81841-89-6
4,4-(ethylenedioxy)-1-(phenylsulfonyl)cyclohexene

: 81842-43-5
4-(3-oxybutyl)-3-cyclohexenone

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) 0 deg C, 2.) RT, 42 h

2: 1.) Na(Hg)x, Na₂HPO₄, 2.) PPTS / 1.) CH₃OH₁ h, 2.) wet acetone, 18 h

With disodium hydrogenphosphate; Na(Hg)x; pyridinium p-toluenesulfonate; sodium hydride;
DOI:10.1021/jo00173a040