1,2-Dithiolane-4,4-dimethanol

Base Information

• Chemical Name: 1,2-Dithiolane-4,4-dimethanol
• CAS No.: 1121-96-6
• Molecular Formula: C₅H₁₀O₂S₂
• Molecular Weight: 166.265
• NSC Number: 72270
• UNII: TR72E7D887
• DSSTox Substance ID: DTXSID10149919
• Nikkaji Number: J1.164.783I
• Wikidata: Q83015798
• Mol file: 1121-96-6.mol

Synonyms:1,2-DITHIOLANE-4,4-DIMETHANOL;1121-96-6;4,4-Bis-hydroxymethyl-1,2-dithiolane;[4-(hydroxymethyl)dithiolan-4-yl]methanol;NSC72270;NSC 72270;BRN 0105271;PH 800/7;TR72E7D887;NSC-72270;5-19-03-00147 (Beilstein Handbook Reference);[4-(HYDROXYMETHYL)-1,2-DITHIOLAN-4-YL]METHANOL;(4-(HYDROXYMETHYL)DITHIOLAN-4-YL)METHANOL;4,4-bis(hydroxymethyl)-1,2-dithiolane;NCIOpen2_000633;UNII-TR72E7D887;SCHEMBL2304634;C5H10O2S2;DTXSID10149919;LS-63250;PH-800/7;EN300-5229226;Z1896551233

Chemical Property of 1,2-Dithiolane-4,4-dimethanol

Chemical Property:

• Vapor Pressure: 3.12E-05mmHg at 25°C
• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 154.8°C
• Density: 1.349g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.01222190
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CSS1)(CO)CO

Technology Process of 1,2-Dithiolane-4,4-dimethanol

There total 7 articles about 1,2-Dithiolane-4,4-dimethanol 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: 98.0%

2,2-bis(sulfanylmethyl)propane-1,3-diol (19333-66-5) → 4,4-Bis-hydroxymethyl-[1,2]dithiolan (1121-96-6)

Guidance literature:

With air; In tetrahydrofuran; for 24h; Solvent;

Reference yield: 67.8%

bis(bromomethyl)bis(hydroxymethyl)methane (3296-90-0) → 4,4-Bis-hydroxymethyl-[1,2]dithiolan (1121-96-6)

Guidance literature:

With sodium hydrosulfide monohydrate; In N,N-dimethyl-formamide; at 75 ℃; for 48h;

DOI:10.1016/j.jconrel.2016.05.060

Reference yield: 52.0%

8,8-dimethyl-7,9-dioxa-2,3-dithiaspiro-[4.5]decane (99799-08-3) → 4,4-Bis-hydroxymethyl-[1,2]dithiolan (1121-96-6)

Guidance literature:

With hydrogenchloride; water; In ethanol; at 20 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1002/zaac.201300106

upstream raw materials:

bis(bromomethyl)bis(hydroxymethyl)methane

2,2-bis(iodomethyl)-1,3-propanediol

2,2-bis(sulfanylmethyl)propane-1,3-diol

8-phenyl-7,9-dioxa-2,3-dithia-spiro[4.5]decan

Downstream raw materials:

2,2-bis(sulfanylmethyl)propane-1,3-diol

5,5-bis-hydroxymethyl-2-phenyl-[1,3]dithiane

5,5-bis-hydroxymethyl-2-methyl-2-phenyl-[1,3]dithiane