4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-2-en-1-one

Base Information

Chemical Name:4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-2-en-1-one
CAS No.:81842-42-4
Molecular Formula:C16H18O4S
Molecular Weight:306.383
Hs Code.:
DSSTox Substance ID:DTXSID70528544

Synonyms:4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-2-en-1-one;81842-42-4;DTXSID70528544;4-(3-oxobutyl)-4-(phenylsulfonyl)-2-cyclohexen-1-one

Suppliers and Price of 4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-2-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
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price

Total 1 raw suppliers

Chemical Property of 4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-2-en-1-one

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:306.09258022
Heavy Atom Count:21
Complexity:535

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)C=C1)S(=O)(=O)C2=CC=CC=C2

Technology Process of 4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-2-en-1-one

There total 3 articles about 4-(Benzenesulfonyl)-4-(3-oxobutyl)cyclohex-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: 90.0%

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

: 81842-42-4
4-Benzenesulfonyl-4-(3-oxo-butyl)-cyclohex-2-enone

Guidance literature:: With pyridinium p-toluenesulfonate; In water; acetone;
DOI:10.1016/S0040-4039(00)86766-0

Reference yield:

: 5535-48-8
PVS

: 81842-42-4
4-Benzenesulfonyl-4-(3-oxo-butyl)-cyclohex-2-enone

Guidance literature:: Multi-step reaction with 3 steps

1: 2.) p-toluenesulfonic acid / 1.) benzene, reflux, 28 h, 2.) benzene, reflux, 23 h

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

3: 90 percent / PPTS / acetone / 23 h / Heating

With pyridinium p-toluenesulfonate; sodium hydride; toluene-4-sulfonic acid; In acetone;
DOI:10.1021/jo00173a040

Reference yield:

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

: 81842-42-4
4-Benzenesulfonyl-4-(3-oxo-butyl)-cyclohex-2-enone

Guidance literature:: Multi-step reaction with 2 steps

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

2: 90 percent / PPTS / acetone / 23 h / Heating

With pyridinium p-toluenesulfonate; sodium hydride; In acetone;
DOI:10.1021/jo00173a040