3,3,5,5-Tetramethyl-2-(phenylsulfanyl)cyclohexan-1-one

Base Information

Chemical Name:3,3,5,5-Tetramethyl-2-(phenylsulfanyl)cyclohexan-1-one
CAS No.:63546-66-7
Molecular Formula:C16H22OS
Molecular Weight:262.416
Hs Code.:
DSSTox Substance ID:DTXSID00490684

Synonyms:63546-66-7;3,3,5,5-Tetramethyl-2-(phenylsulfanyl)cyclohexan-1-one;DTXSID00490684

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Supply Marketing:

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

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Chemical Property of 3,3,5,5-Tetramethyl-2-(phenylsulfanyl)cyclohexan-1-one

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:262.13913649
Heavy Atom Count:18
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=O)C(C(C1)(C)C)SC2=CC=CC=C2)C

Technology Process of 3,3,5,5-Tetramethyl-2-(phenylsulfanyl)cyclohexan-1-one

There total 3 articles about 3,3,5,5-Tetramethyl-2-(phenylsulfanyl)cyclohexan-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: 77.0%

: 14376-79-5
3,3,5,5-tetramethylcyclohexanone

: 882-33-7
diphenyldisulfane

: 63546-66-7
3,3,5,5-tetramethyl-2-phenylsulfanylcyclohexanone

Guidance literature:: 3,3,5,5-tetramethylcyclohexanone; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

diphenyldisulfane; In tetrahydrofuran; at 22 ℃; for 4h;
DOI:10.1021/jo060077r

Reference yield:

: 14376-79-5
3,3,5,5-tetramethylcyclohexanone

: 63546-66-7
3,3,5,5-tetramethyl-2-phenylsulfanylcyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-chloro-succinimide; toluene-4-sulfonic acid / acetonitrile / 2 h / 82 °C

2.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h

2.2: 21 h

With N-chloro-succinimide; sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran; acetonitrile; mineral oil;
DOI:10.1021/acs.joc.1c02844