Ethanethioic acid, cyclohexylidene-, S-phenyl ester

Base Information

• Chemical Name: Ethanethioic acid, cyclohexylidene-, S-phenyl ester
• CAS No.: 88410-25-7
• Molecular Formula: C14H16OS
• Molecular Weight: 232.346
• DSSTox Substance ID: DTXSID70433806
• Mol file: 88410-25-7.mol

Synonyms:Ethanethioic acid, cyclohexylidene-, S-phenyl ester;88410-25-7;DTXSID70433806

Chemical Property of Ethanethioic acid, cyclohexylidene-, S-phenyl ester

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.09218630
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(=CC(=O)SC2=CC=CC=C2)CC1

Technology Process of Ethanethioic acid, cyclohexylidene-, S-phenyl ester

There total 4 articles about Ethanethioic acid, cyclohexylidene-, S-phenyl ester 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: 67.0%

1-<(Phenylthio)ethynyl>-1-cyclohexanol (166264-42-2) → S-Phenyl cyclohexylideneethanethioate (88410-25-7) + phenyl 2-(1'-cyclohexenyl)ethenyl (208768-03-0)

Guidance literature:

With polyphosphoric acid trimethylsilyl ester; In 1,2-dichloro-ethane; for 0.5h; Ambient temperature;

DOI:10.1021/jo00120a024

Reference yield: 56.0%

(1-Benzenesulfinyl-2-cyclohexylidene-vinyl)-trimethyl-silane (88410-18-8) → S-Phenyl cyclohexylideneethanethioate (88410-25-7)

Guidance literature:

In diethyl ether; Heating;

DOI:10.1016/S0040-4039(00)85927-4

Reference yield:

1-((trimethylsilyl)ethynyl)cyclohexanol (17962-22-0) → S-Phenyl cyclohexylideneethanethioate (88410-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / Et₃N / diethyl ether / -20 °C

2: 56 percent / diethyl ether / Heating

With triethylamine; In diethyl ether;

DOI:10.1016/S0040-4039(00)85927-4

upstream raw materials:

(1-Benzenesulfinyl-2-cyclohexylidene-vinyl)-trimethyl-silane

1-<(Phenylthio)ethynyl>-1-cyclohexanol

1-((trimethylsilyl)ethynyl)cyclohexanol

benzenesulfenyl chloride