[(2-Chlorocyclohexyl)sulfanyl]benzene

Base Information

• Chemical Name: [(2-Chlorocyclohexyl)sulfanyl]benzene
• CAS No.: 14032-03-2
• Molecular Formula: C12H15ClS
• Molecular Weight: 226.77
• DSSTox Substance ID: DTXSID60502858
• Mol file: 14032-03-2.mol

Synonyms:[(2-chlorocyclohexyl)sulfanyl]benzene;14032-03-2;Benzene, [(2-chlorocyclohexyl)thio]-;2-chlorocyclohexyl phenyl sulfide;DTXSID60502858;[(2-chlorocyclohexyl)thio]benzene;MEARZADTJSUNJR-UHFFFAOYSA-N;1-chloro-2-(phenylthio)cyclo-hexane;(2-chloro-cyclohexyl)sulfanyl-benzene

Chemical Property of [(2-Chlorocyclohexyl)sulfanyl]benzene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.0582993
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)SC2=CC=CC=C2)Cl

Technology Process of [(2-Chlorocyclohexyl)sulfanyl]benzene

There total 23 articles about [(2-Chlorocyclohexyl)sulfanyl]benzene 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%

ethyl benzenesulfenate (54815-45-1) + cyclohexene (110-83-8) → ((1R,2R)-2-chlorocyclohexyl)(phenyl)sulfane (14032-03-2,51704-77-9)

Guidance literature:

With thionyl chloride; at 20 ℃; stereospecific reaction; Inert atmosphere;

DOI:10.1007/s11172-008-0370-7

Reference yield: 84.0%

(phenylthio)methyl phenylacetate → chloromethyl 2-phenylacetate (71570-28-0) + 1-chloro-2-phenylsulfanylcyclohexane (14032-03-2)

Guidance literature:

With sulfuryl dichloride; cyclohexene; In dichloromethane; 1.) 0 deg C, 1 h, 2.) RT, 30 min;

Reference yield: 80.0%

benzenesulfonyl chloride (98-09-9) + cyclohexene (110-83-8) → ((1R,2R)-2-chlorocyclohexyl)(phenyl)sulfane (14032-03-2,51704-77-9)

Guidance literature:

With acetic acid; triphenylphosphine; copper(I) bromide; at 85 ℃; for 5h; regioselective reaction; Sealed tube;

DOI:10.1021/acs.joc.9b02920

upstream raw materials:

benzenesulfenyl chloride

cyclohexene

trimethylsilane

acetic acid

Downstream raw materials:

(+/-)-cis-1-benzenesulfonyl-2-chloro-cyclohexane

trans-2-chlorocyclohexyl phenyl sulfone

2-Methyl-2-((1S,2R)-2-phenylsulfanyl-cyclohexyl)-propionic acid methyl ester

2-((1S,2R)-2-Phenylsulfanyl-cyclohexyl)-butyric acid ethyl ester