1-Methyl-4-(1-nitrocyclohexyl)sulfonylbenzene

Base Information

Chemical Name:1-Methyl-4-(1-nitrocyclohexyl)sulfonylbenzene
CAS No.:41774-12-3
Molecular Formula:C13H17NO4S
Molecular Weight:283.348
Hs Code.:
European Community (EC) Number:659-873-7
DSSTox Substance ID:DTXSID10393718
Nikkaji Number:J454.575C
Wikidata:Q82192607
Mol file:41774-12-3.mol

Synonyms:1-methyl-4-(1-nitrocyclohexyl)sulfonylbenzene;41774-12-3;1-NITROCYCLOHEXYL P-TOLYL SULFONE;DTXSID10393718;1-p-tolylsulfonyl-1-nitrocyclo-hexane;AKOS024340619;4-Methylphenyl(1-nitrocyclohexyl) sulfone

Suppliers and Price of 1-Methyl-4-(1-nitrocyclohexyl)sulfonylbenzene

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

Sigma-Aldrich
1-NITROCYCLOHEXYL P-TOLYL SULFONE Aldrich
1ea
$ 57.00

American Custom Chemicals Corporation
1-NITROCYCLOHEXYL-PARA-TOLYL SULFONE 95.00%
5MG
$ 504.15

Total 0 raw suppliers

Chemical Property of 1-Methyl-4-(1-nitrocyclohexyl)sulfonylbenzene

Chemical Property:

PSA：88.34000
LogP:4.30980
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:283.08782920
Heavy Atom Count:19
Complexity:421

Purity/Quality:: 1-NITROCYCLOHEXYL P-TOLYL SULFONE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCC2)[N+](=O)[O-]

Technology Process of 1-Methyl-4-(1-nitrocyclohexyl)sulfonylbenzene

There total 2 articles about 1-Methyl-4-(1-nitrocyclohexyl)sulfonylbenzene 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:

: 29788-20-3
1-bromo-1-nitrocyclohexane

: 824-79-3
sodium 4-methylbenzenesulfinate

: 41774-12-3
1-<(p-methylphenyl)sulfonyl>-1-nitrocyclohexane

Guidance literature:: In N,N-dimethyl-formamide;
DOI:10.1021/ja00791a046

Reference yield:

: 824-79-3
sodium 4-methylbenzenesulfinate

: 1122-60-7
1-nitrocyclohexane

: 41774-12-3
1-<(p-methylphenyl)sulfonyl>-1-nitrocyclohexane

Guidance literature:: Multistep reaction; (i) KOtBu, DMF, (ii) /BRN= 3574491/, I₂;

Reference yield: 94.1%

: 41774-12-3
1-<(p-methylphenyl)sulfonyl>-1-nitrocyclohexane

: 1122-60-7
1-nitrocyclohexane

Guidance literature:: With 2,2'-azobis(isobutyronitrile); 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole; In benzene; at 61 ℃; for 24h; Product distribution; Mechanism; other α-nitro sulfones; var. solvents, temp., time; absence or presence var. radical initiators or inhibitors;
DOI:10.1021/jo00252a001