1,3-Dithian-5-ol

Base Information

• Chemical Name: 1,3-Dithian-5-ol
• CAS No.: 89876-00-6
• Molecular Formula: C4H8OS2
• Molecular Weight: 136.2357
• NSC Number: 143599
• DSSTox Substance ID: DTXSID20301465
• Wikidata: Q82045418

Synonyms:1,3-dithian-5-ol;89876-00-6;NSC 143599;NSC143599;SCHEMBL1864757;DTXSID20301465;NSC-143599;EN300-7585404

Chemical Property of 1,3-Dithian-5-ol

Chemical Property:

• Vapor Pressure: 0.000801mmHg at 25°C
• Boiling Point: 272.2°Cat760mmHg
• Flash Point: 132.8°C
• Density: 1.33g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.00165722
• Heavy Atom Count: 7
• Complexity: 51.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CSCS1)O

Technology Process of 1,3-Dithian-5-ol

There total 2 articles about 1,3-Dithian-5-ol 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: 81.3%

1,3-dithiacyclohexan-5-one (64211-37-6) → 5-Hydroxy-1,3-dithiane (89876-00-6)

Guidance literature:

DOI:10.1016/j.tet.2005.07.091

Reference yield:

→ 5-Hydroxy-1,3-dithiane (89876-00-6)

Guidance literature:

Dithiacyclohexan 5a, Dioxan/Hydrolyse (Tab. 1);

Reference yield: 86.4%

5-Hydroxy-1,3-dithiane (89876-00-6) + benzyl bromide (100-39-0) → 5-phenylmethoxy-1,3-dithiane

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 6.33333h;

DOI:10.1016/j.tet.2005.07.091

upstream raw materials:

1,3-dithiacyclohexan-5-one

Downstream raw materials:

5-phenylcarbamoyloxy-[1,3]dithiane

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