11-[(2-Hydroxyethyl)sulfanyl]undecanoic acid

Base Information

• Chemical Name: 11-[(2-Hydroxyethyl)sulfanyl]undecanoic acid
• CAS No.: 7146-27-2
• Molecular Formula: C13H26O3S
• Molecular Weight: 262.4087
• NSC Number: 23343
• DSSTox Substance ID: DTXSID50281887
• Wikidata: Q82015999
• Mol file: 7146-27-2.mol

Synonyms:7146-27-2;NSC 23343;11-[(2-hydroxyethyl)sulfanyl]undecanoic acid;NSC23343;SCHEMBL18771046;DTXSID50281887;NSC-23343;Undecanoic acid, 11-[(2-hydroxyethyl)thio]-

Chemical Property of 11-[(2-Hydroxyethyl)sulfanyl]undecanoic acid

Chemical Property:

• Vapor Pressure: 2.27E-09mmHg at 25°C
• Boiling Point: 434.4°C at 760 mmHg
• Flash Point: 216.5°C
• Density: 1.052g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 262.16026586
• Heavy Atom Count: 17
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCSCCO)CCCCC(=O)O

Technology Process of 11-[(2-Hydroxyethyl)sulfanyl]undecanoic acid

There total 5 articles about 11-[(2-Hydroxyethyl)sulfanyl]undecanoic 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: 100.0%

10-undecenoic acid (112-38-9) + 2-hydroxyethanethiol (60-24-2) → 11-(2-Hydroxy-aethylmercapto)-undecansaeure (7146-27-2)

Guidance literature:

With 2,2-dimethoxy-2-phenylacetophenone; In dichloromethane; at 20 ℃; for 0.166667h; Irradiation;

DOI:10.1016/j.polymer.2015.05.013

Reference yield:

ethyl 11-mercaptoundecanoate (1725-06-0) → 11-(2-Hydroxy-aethylmercapto)-undecansaeure (7146-27-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt / ethanol

2: aq. NaOH

With sodium hydroxide; sodium ethanolate; In ethanol;

Reference yield:

11-bromoundecanoic acid ethyl ester (6271-23-4) → 11-(2-Hydroxy-aethylmercapto)-undecansaeure (7146-27-2)

Guidance literature:

Multi-step reaction with 3 steps

1: thiourea, aq. NaOH / ethanol

2: NaOEt / ethanol

3: aq. NaOH

With sodium hydroxide; sodium ethanolate; thiourea; In ethanol;

upstream raw materials:

10-undecenoic acid

2-hydroxyethanethiol

11-(2-Hydroxy-aethylmercapto)-undecansaeure-aethylester

ethyl 11-mercaptoundecanoate