1,3-Dithiane-2-ethanol

Base Information

• Chemical Name: 1,3-Dithiane-2-ethanol
• CAS No.: 14947-48-9
• Molecular Formula: C6H12OS2
• Molecular Weight: 164.293
• DSSTox Substance ID: DTXSID80509622
• Wikidata: Q82367342
• Mol file: 14947-48-9.mol

Synonyms:1,3-Dithiane-2-ethanol;2-(1,3-DITHIAN-2-YL)ETHANOL;14947-48-9;C6H12OS2;DTXSID80509622;2-(1,3-Dithian-2-yl)ethan-1-ol;D80727;A936996

Chemical Property of 1,3-Dithiane-2-ethanol

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.03295735
• Heavy Atom Count: 9
• Complexity: 71.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)CCO

Technology Process of 1,3-Dithiane-2-ethanol

There total 6 articles about 1,3-Dithiane-2-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: 99.0%

(1,3-dithian-2-yl)ethanoic acid ethyl ester (70562-14-0) → 2-(2'-hydroxyethyl)-1,3-dithiane (14947-48-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 - 20 ℃; for 21h;

DOI:10.1021/ol035849+

Reference yield: 93.0%

1.3-propanedithiol (109-80-8) + 3-(tert-butyldimethylsilanyloxy)propionaldehyde (89922-82-7) → 2-(2'-hydroxyethyl)-1,3-dithiane (14947-48-9)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at -10 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol301144a

Reference yield:

oxirane (75-21-8,99932-75-9) + 1,3 dithiane (505-23-7) → 2-(2'-hydroxyethyl)-1,3-dithiane (14947-48-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 1h;

DOI:10.1016/S0040-4039(01)81628-2

upstream raw materials:

oxirane

1,3 dithiane

(1,3-dithian-2-yl)ethanoic acid ethyl ester

1.3-propanedithiol

Downstream raw materials:

2-{2-[Hydroxy-(4-methoxy-phenyl)-methyl]-[1,3]dithian-2-yl}-ethanol

(R_S,R)-(-)-N-(p-toluenesulfinyl)-2-phenyl-3,3-(propanedisulfanyl)pyrrolidine

C₂₈H₄₂O₄S₃Si

C₂₈H₄₂O₄S₃Si