3,6-Dithia-1,8-octanediol

Base Information

• Chemical Name: 3,6-Dithia-1,8-octanediol
• CAS No.: 5244-34-8
• Deprecated CAS: 26652-79-9
• Molecular Formula: C6H14O2S2
• Molecular Weight: 182.308
• Hs Code.: 29309070
• European Community (EC) Number: 226-045-8
• UNII: KBC80263G6
• DSSTox Substance ID: DTXSID9063740
• Nikkaji Number: J25.780J
• Wikidata: Q27282162
• Mol file: 5244-34-8.mol

Synonyms:3,6-Dithia-1,8-octanediol;5244-34-8;1,2-Bis(2-hydroxyethylthio)ethane;3,6-Dithiaoctane-1,8-diol;dithiaoctanediol;2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol;Ethylenedithioethanol;2,2'-(Ethane-1,2-diylbis(sulfanediyl))diethanol;2,2'-(Ethylenedithio)diethanol;Ethanol, 2,2'-[1,2-ethanediylbis(thio)]bis-;2,2-(Ethane-1,2-diylbis(sulfanediyl))diethanol;Ethanol, 2,2'-(ethylenedithio)di-;Ethanol, 2,2'-(1,2-ethanediylbis(thio))bis-;2,2'-Ethylenedithiodiethanol;3,6-dithiaoctan-1,8-diol;UNII-KBC80263G6;1,10-Dioxa-4,7-dithiadecane;1,8-Dihydroxy-3,6-dithiaoctane;KBC80263G6;1,8-Dihydroxy-3,6-octanedithione;EINECS 226-045-8;1,2-Bis(.beta.-hydroxyethylthio)ethane;Dithioocatane Diol;ethylenedithiodiethanol;Lindlar Catalyst Poison;3,6-dithia-1,8-octandiol;SCHEMBL195715;DITHIOTRIETHYLENE GLYCOL;DITHIAOCTANEDIOL [INCI];DTXSID9063740;PDHFSBXFZGYBIP-UHFFFAOYSA-;2,2'-(ethylenedithio)-diethanol;1,8-Dihydroxy-3,6-dithiooctane;AMY25705;MFCD00002911;1,2-Bis(beta-hydroxyethylthio)ethane;3,6-Dithia-1,8-octanediol, 97%;AKOS001028090;SB83867;NCGC00331376-01;AS-58449;Di(.beta.-Hydroxyethyl) ethylene disulfide;2,2'-[1,2-Ethanediylbis(thio)]bisethanol;FT-0614773;D95286;AB01325083-02;DI(.BETA.-HYDROXYETHYL)ETHYLENE DISULFIDE;W-105825;Q27282162;Z56799438;2-((2-[(2-Hydroxyethyl)sulfanyl]ethyl)sulfanyl)ethanol #;2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethan-1-ol;3,6-Dithia-1,8-octanediol 2,2`-(Ethylenedithio)diethanol

Chemical Property of 3,6-Dithia-1,8-octanediol

Chemical Property:

• Appearance/Colour: white solid.
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 63-64 °C(lit.)
• Refractive Index: 1.617
• Boiling Point: 345.956 °C at 760 mmHg
• PKA: 14.17±0.10(Predicted)
• Flash Point: 168.319 °C
• PSA: 91.06000
• Density: 1.337 g/cm³
• LogP: 0.43740
• Storage Temp.: Store below +30°C.
• Solubility.: soluble in Methanol
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 182.04352203
• Heavy Atom Count: 10
• Complexity: 53.7

Purity/Quality:

99.9% ^*data from raw suppliers

3,6-Dithia-1,8-octanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CSCCSCCO)O
• Uses: 3,6-Dithia-1,8-octanediol has been used:as exogeneous chelator to evaluate a membrane-permeable copper-selective fluorescent sensor for imaging of kinetically labile copper poolsin asymmetric total synthesis of (+)-6-epi-castanospermine and polyhydroxylated alkaloid

Technology Process of 3,6-Dithia-1,8-octanediol

There total 16 articles about 3,6-Dithia-1,8-octanediol 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%

ethylene dibromide (106-93-4) + ethanethiol (75-08-1) → 2,2'-ethane-1,2-diylbissulfanyl-bis-ethanol (5244-34-8)

Guidance literature:

With sodium ethanolate; In ethanol; for 1h; Heating;

Reference yield: 97.0%

ethane-1,2-dithiol (540-63-6) + 2-chloro-ethanol (107-07-3) → 2,2'-ethane-1,2-diylbissulfanyl-bis-ethanol (5244-34-8)

Guidance literature:

With sodium; In ethanol; at 60 ℃; for 4h;

DOI:10.1039/c7ra13589k

Reference yield: 86.0%

ethylene dibromide (106-93-4) + 2-hydroxyethanethiol (60-24-2) → 2,2'-ethane-1,2-diylbissulfanyl-bis-ethanol (5244-34-8)

Guidance literature:

2-hydroxyethanethiol; With sodium ethanolate; In ethanol;

ethylene dibromide; In ethanol; for 1h; Heating;

DOI:10.1080/10426500390228710

upstream raw materials:

oxirane

ethane-1,2-dithiol

1,2-bis(2-chloroethylthio)ethane

tetrachloromethane

Downstream raw materials:

1,4-Dithiane

1,2-bis(2-bromoethylthio)ethane

1,2-bis(2-hydroxyethylsulfonyl)ethane

N,N'-dibenzylidene-4,4'-(3,6-dithia-octanediyldioxy)-di-aniline

Refernces

• 1、 Odhiambo, Ruth A.,Aluoch, Austin O.,Njenga, Lydia W.,Kagwanja, Stanley M.,Wandiga, Shem O.,Wendt, Ola F.. "Synthesis, characterisation and ion-binding properties of oxathiacrown ethers appended to [Ru(bpy)2]2+. Selectivity towards Hg2+, Cd2+ and Pb2+". . p. 3663 - 3672. Retrieved 2018.
• 2、 Seyedi, Seyed Mohammad,Sadeghian, Hamid,Safari, Zohreh. "Synthesis of new β,β'-diketodithioethers via swern oxidation and study of their hydrazone formation rate". experimental part. p. 2297 - 2306. Retrieved 2010/03/31.