1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol

Base Information

Chemical Name:1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol
CAS No.:101704-20-5
Molecular Formula:C14H20OS
Molecular Weight:236.378
Hs Code.:
DSSTox Substance ID:DTXSID50541110
Wikidata:Q82417351
Mol file:101704-20-5.mol

Synonyms:101704-20-5;1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol;DTXSID50541110

Suppliers and Price of 1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol

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
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price

Total 1 raw suppliers

Chemical Property of 1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:236.12348643
Heavy Atom Count:16
Complexity:191

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCC(CC1)(CSC2=CC=CC=C2)O

Technology Process of 1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol

There total 3 articles about 1-[(Phenylsulfanyl)methyl]cycloheptan-1-ol 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: 91.0%

: 100-68-5
methyl-phenyl-thioether

: 502-42-1
cycloheptanone

: 101704-20-5
1-(phenylthiomethyl)cycloheptanol

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; n-butyllithium; In tetrahydrofuran; hexane; 0 degC for 15 min and room t. for 1.5 h, then 0 degC, 1 h, room t., 1 h;

Reference yield: 84.0%

: 13307-75-0
(phenylthio)methyllithium

: 502-42-1
cycloheptanone

: 101704-20-5
1-(phenylthiomethyl)cycloheptanol

Guidance literature:: DOI:10.1016/S0040-4039(00)98638-6

Reference yield:

: 100-68-5
methyl-phenyl-thioether

: 101704-20-5
1-(phenylthiomethyl)cycloheptanol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.75 M butyllithium / tetrahydrofuran; cyclohexane / -60 deg C; rt, 20 h; 37 deg C, 0.75 h

2: tetrahydrofuran

With n-butyllithium; In tetrahydrofuran; cyclohexane;
DOI:10.1016/S0022-328X(00)99451-8