1-(Cyclohexylsulfanyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(Cyclohexylsulfanyl)-4-methylbenzene
• CAS No.: 59693-93-5
• Molecular Formula: C13H18S
• Molecular Weight: 206.352
• DSSTox Substance ID: DTXSID90515012
• Nikkaji Number: J1.387.193K
• Wikidata: Q82375668
• Mol file: 59693-93-5.mol

Synonyms:1-(Cyclohexylsulfanyl)-4-methylbenzene;59693-93-5;(4-tolylthio)cyclohexane;SCHEMBL5314475;DTXSID90515012

Chemical Property of 1-(Cyclohexylsulfanyl)-4-methylbenzene

Chemical Property:

• PSA: 25.30000
• LogP: 4.41980
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 206.11292175
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2CCCCC2

Technology Process of 1-(Cyclohexylsulfanyl)-4-methylbenzene

There total 28 articles about 1-(Cyclohexylsulfanyl)-4-methylbenzene 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: 99.0%

Cyclohexanethiol (1569-69-3) + 4-tolyl iodide (624-31-7) → (4-methylphenyl)cyclohexyl sulfane (59693-93-5)

Guidance literature:

With (R)-1-[(S_P)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; palladium diacetate; sodium t-butanolate; In 1,2-dimethoxyethane; at 70 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jo802594d

Reference yield: 99.0%

p-tolyl benzenethiosulfonate (17041-81-5) + 4-cyclohexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester (1539-59-9) → (4-methylphenyl)cyclohexyl sulfane (59693-93-5)

Guidance literature:

With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; In 1,2-dichloro-ethane; at 30 ℃; for 24h; Reagent/catalyst; Solvent; chemoselective reaction; Catalytic behavior; Glovebox; Irradiation; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01776

Reference yield: 98.0%

Cyclohexanethiol (1569-69-3) + para-chlorotoluene (106-43-4) → (4-methylphenyl)cyclohexyl sulfane (59693-93-5)

Guidance literature:

With palladium diacetate; CyPF-t-Bu; sodium t-butanolate; In 1,2-dimethoxyethane; at 110 ℃;

DOI:10.1021/ja0580340

upstream raw materials:

1-bromocyclohexane

para-thiocresol

4-toluenesulfonyl azide

tricyclohexylborane

Downstream raw materials:

p-Toluic acid

Cyclohexanecarboxylic acid

S-cyclohexyl-N-(p-tolylsulfonyl)-S-p-tolylsulfoximine

S-cyclohexyl-S-p-tolyl-N-(p-tolylsulfonyl)sulfilimine

Refernces

• 1、 Qin, Yangzhong,Sun, Rui,Gianoulis, Nikolas P.,Nocera, Daniel G.. "Photoredox Nickel-Catalyzed C-S Cross-Coupling: Mechanism, Kinetics, and Generalization". supporting information. p. 2005 - 2015. Retrieved 2021/02/06.
• 2、 Cai, Yi-Ping,Nie, Fang-Yuan,Song, Qin-Hua. "Visible-Light-Mediated Alkylation of Thiophenols via Electron Donor-Acceptor Complexes Formed between Two Reactants". . p. 12419 - 12426. Retrieved 2021/09/02.