1-(Cyclohexylsulfanyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(Cyclohexylsulfanyl)-4-methoxybenzene
• CAS No.: 59693-94-6
• Molecular Formula: C13H18OS
• Molecular Weight: 222.351
• DSSTox Substance ID: DTXSID50515013
• Nikkaji Number: J1.387.196E
• Wikidata: Q82375669
• Mol file: 59693-94-6.mol

Synonyms:59693-94-6;1-(Cyclohexylsulfanyl)-4-methoxybenzene;SCHEMBL23323067;DTXSID50515013

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

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.10783637
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)SC2CCCCC2

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

There total 28 articles about 1-(Cyclohexylsulfanyl)-4-methoxybenzene 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: 98.0%

Cyclohexanethiol (1569-69-3) + 1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → cyclohexyl-4-methoxyphenyl sulfide (59693-94-6)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; lithium hexamethyldisilazane; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 100 ℃; for 12h; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201910436

Reference yield: 98.0%

Cyclohexanethiol (1569-69-3) + para-iodoanisole (696-62-8) → cyclohexyl-4-methoxyphenyl sulfide (59693-94-6)

Guidance literature:

With copper(I) oxide; potassium hydroxide; In 1,4-dioxane; at 110 ℃; for 6h; Inert atmosphere;

DOI:10.1002/ejoc.201001667

Reference yield: 95.0%

(C6H5)4Sb(1+)*H3COC6H4S(1-)*0.11CHCl3 = (C6H5)4SbSC6H4OCH3*0.11CHCl3 → 4-Methoxybenzenethiol (696-63-9) + biphenyl (92-52-4,1594-86-1) + 4,4'-dimethoxyphenyl disulfide (5335-87-5) + cyclohexyl-4-methoxyphenyl sulfide (59693-94-6) + triphenylantimony (603-36-1)

Guidance literature:

In cyclohexane; reflux; not isolated, GLC;

DOI:10.1016/S0022-328X(00)94114-7

upstream raw materials:

1-bromocyclohexane

4-methoxybenzenethiolate

4-thiocyanatoanisole

cyclohexanol