1,4-Bis(2-hydroxyethylthio)butane

Base Information

• Chemical Name: 1,4-Bis(2-hydroxyethylthio)butane
• CAS No.: 7425-93-6
• Molecular Formula: C8H18O2S2
• Molecular Weight: 210.362
• European Community (EC) Number: 231-063-4
• DSSTox Substance ID: DTXSID40225255
• Nikkaji Number: J97.277K
• Wikidata: Q83104181
• Mol file: 7425-93-6.mol

Synonyms:1,4-bis(2-hydroxyethylthio)butane

Chemical Property of 1,4-Bis(2-hydroxyethylthio)butane

Chemical Property:

• Boiling Point: 386.3 °C at 760 mmHg
• Flash Point: 187.7 °C
• PSA: 91.06000
• Density: 1.146 g/cm³
• LogP: 1.21760
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 210.07482216
• Heavy Atom Count: 12
• Complexity: 71.5

Purity/Quality:

99% ^*data from raw suppliers

1,4-BIS(2-HYDROXYETHYL THIO)BUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCSCCO)CSCCO

Technology Process of 1,4-Bis(2-hydroxyethylthio)butane

There total 2 articles about 1,4-Bis(2-hydroxyethylthio)butane 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%

1,4-dibromo-butane (110-52-1) + 2-hydroxyethanethiol (60-24-2) → 1,4-bis(2-hydroxyethylthio)butane (7425-93-6)

Guidance literature:

2-hydroxyethanethiol; With sodium ethanolate; In ethanol;

1,4-dibromo-butane; In ethanol; for 1h; Heating;

DOI:10.1080/10426500390228710

Reference yield: 82.0%

1,4-Butanedithiol (1191-08-8) + 2-chloro-ethanol (107-07-3) → 1,4-bis(2-hydroxyethylthio)butane (7425-93-6)

Guidance literature:

1,4-Butanedithiol; With sodium ethanolate; In ethanol;

2-chloro-ethanol; In ethanol; for 1h; Heating;

DOI:10.1080/10426500390228710

Reference yield: 76.0%

1,4-bis(2-hydroxyethylthio)butane (7425-93-6) → 1,4-bis(2-hydroxyethylsulfonyl)butane (7426-03-1)

Guidance literature:

With dihydrogen peroxide; In trifluoroacetic acid; for 1.5h; Heating;

DOI:10.1080/10426500390228710

upstream raw materials:

1,4-dibromo-butane

2-hydroxyethanethiol

1,4-Butanedithiol

2-chloro-ethanol

Downstream raw materials:

1,4-bis(2-chloroethylthio)-n-butane

1,4-bis(2-hydroxyethylsulfonyl)butane

Refernces

• 1、 Timperley, Christopher M.,Black, Robin M.,Bird, Michael,Holden, Ian,Mundy, Joanna L.,Read, Robert W.. "Hydrolysis and oxidation products of the chemical warfare agents 1,2-Bis[(2-chloroethyl)thio]ethane Q and 2,2′-Bis(2-chloroethylthio) diethyl ether T". . p. 2027 - 2046. Retrieved 2007/10/03.