2-Tetradecylsulfanyl-ethanol

Base Information

• Chemical Name: 2-Tetradecylsulfanyl-ethanol
• CAS No.: 26535-61-5
• Molecular Formula: C16H34 O S
• Molecular Weight: 274.511
• NSC Number: 196144
• DSSTox Substance ID: DTXSID50307874
• Wikidata: Q82055457
• Mol file: 26535-61-5.mol

Synonyms:2-Tetradecylsulfanyl-ethanol;26535-61-5;NSC196144;SCHEMBL2908992;DTXSID50307874;HROSXDVULOBNMU-UHFFFAOYSA-N;NSC-196144

Chemical Property of 2-Tetradecylsulfanyl-ethanol

Chemical Property:

• Vapor Pressure: 1.62E-07mmHg at 25°C
• Boiling Point: 385.1°C at 760 mmHg
• Flash Point: 187.1°C
• Density: 0.902g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 274.23303688
• Heavy Atom Count: 18
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCSCCO

Technology Process of 2-Tetradecylsulfanyl-ethanol

There total 4 articles about 2-Tetradecylsulfanyl-ethanol 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: 95.0%

tetradecylthioacetic Acid (2921-20-2) → 2-(tetradecylthio)ethanol (26535-61-5)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 18 ℃; for 18h;

DOI:10.1016/j.tet.2014.03.050

Reference yield: 48.0%

1-Bromotetradecane (112-71-0) + 2-hydroxyethanethiol (60-24-2) → 2-(tetradecylthio)ethanol (26535-61-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 40 ℃;

Reference yield:

methyl 2-(tetradecylthio)acetate → 2-(tetradecylthio)ethanol (26535-61-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium hydroxide / ethanol / 48 h / 20 °C

2: dimethylsulfide borane complex / tetrahydrofuran / 18 h / 0 - 18 °C

With dimethylsulfide borane complex; lithium hydroxide; In tetrahydrofuran; ethanol;

DOI:10.1016/j.tet.2014.03.050

upstream raw materials:

tetradecylthioacetic Acid

1-Bromotetradecane

2-hydroxyethanethiol