2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid

Base Information

Chemical Name:2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid
CAS No.:76358-97-9
Molecular Formula:C14H18O2S
Molecular Weight:250.362
Hs Code.:
DSSTox Substance ID:DTXSID80508155

Synonyms:76358-97-9;2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid;DTXSID80508155

Suppliers and Price of 2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid

Supply Marketing:

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

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Chemical Property of 2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:250.10275099
Heavy Atom Count:17
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(C(C1)CSC2=CC=CC=C2)C(=O)O

Technology Process of 2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid

There total 1 articles about 2-[(Phenylsulfanyl)methyl]cyclohexane-1-carboxylic acid 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:

: 3111-52-2
potassium thiophenolate

: 6939-71-5
hexahydro-isobenzo[c]furan-1-one

: 76358-97-9
2-<(phenylthio)methyl>cyclohexanecarboxylic acid

Guidance literature:: In N,N-dimethyl-formamide; for 5h; Heating;
DOI:10.1248/cpb.31.4312

Reference yield: 92.0%

: 71098-88-9
N-phenylselanylphthalimide

: 76358-97-9
2-<(phenylthio)methyl>cyclohexanecarboxylic acid

: 76359-03-0
2-<(phenylthio)methyl>cyclohexanecarboselenoic acid Se-phenyl ester

Guidance literature:: With tributylphosphine; In dichloromethane; for 3h;
DOI:10.1021/jo00319a037

Reference yield:

: 76358-97-9
2-<(phenylthio)methyl>cyclohexanecarboxylic acid

: 18653-23-1,18653-24-2,69822-03-3
trans-benzoyl-2-methylcyclohexane

Guidance literature:: Multi-step reaction with 2 steps

1: 74.6 percent / polyphosphoric acid (PPA) / 4 h / 110 °C

2: 30 mg / Raney-Ni (W-1) / methanol / 1 h / Heating

With PPA; Polyphosphoric acid (PPA); Raney-Ni (W-1); In methanol;
DOI:10.1248/cpb.31.4312