2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)-

Base Information

Chemical Name:2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)-
CAS No.:81842-30-0
Molecular Formula:C13H14O3S
Molecular Weight:250.31300
Hs Code.:
DSSTox Substance ID:DTXSID30460572
Nikkaji Number:J1.424.060H

Synonyms:2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)-;81842-30-0;DTXSID30460572;4-methyl-4-(phenylsulfonyl)-2-cyclohexen-1-one

Suppliers and Price of 2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)-

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 2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)-

Chemical Property:

PSA：59.59000
LogP:3.21890
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:250.06636548
Heavy Atom Count:17
Complexity:424

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:CC1(CCC(=O)C=C1)S(=O)(=O)C2=CC=CC=C2

Technology Process of 2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)-

There total 3 articles about 2-Cyclohexen-1-one, 4-methyl-4-(phenylsulfonyl)- 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: 94.0%

: 81841-91-0
8-Benzenesulfonyl-8-methyl-1,4-dioxa-spiro[4.5]dec-6-ene

: 81842-30-0
4-methyl-4-(phenylsulfonyl)cyclohex-2-enone

Guidance literature:: With pyridinium p-toluenesulfonate; In acetone; for 3h; Heating;
DOI:10.1021/jo00173a040

Reference yield:

: (4-benzenesulfonyl-3-methoxy-4-methyl-cyclohex-1-enyloxy)-trimethyl-silane

: 81842-30-0
4-methyl-4-(phenylsulfonyl)cyclohex-2-enone

: 4-benzenesulfonyl-3-methoxy-4-methyl-cyclohexanone

Guidance literature:: With ytterbium(III) triflate; In toluene; at 0 ℃; Title compound not separated from byproducts;

Reference yield:

: 98-09-9
benzenesulfonyl chloride

: 81842-30-0
4-methyl-4-(phenylsulfonyl)cyclohex-2-enone

Guidance literature:: Multi-step reaction with 2 steps

1: copper(l) chloride / acetonitrile / 4 h / 80 °C / Inert atmosphere

2: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 12 h / 22 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper(l) chloride; In tetrahydrofuran; acetonitrile;
DOI:10.1021/acs.orglett.5b01675