2,2-Dimethyl-1,3-oxathiolane

Base Information

• Chemical Name: 2,2-Dimethyl-1,3-oxathiolane
• CAS No.: 5684-31-1
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• NSC Number: 203379
• UNII: I3E25G1WO7
• DSSTox Substance ID: DTXSID20205373
• Nikkaji Number: J42.599K
• Wikidata: Q83078939

Synonyms:2,2-Dimethyl-1,3-oxathiolane;1,3-OXATHIOLANE, 2,2-DIMETHYL-;5684-31-1;NSC 203379;BRN 0102790;I3E25G1WO7;NSC-203379;5-19-01-00062 (Beilstein Handbook Reference);2,3-oxathiolane;NSC203379;CC1(C)OCCS1;UNII-I3E25G1WO7;SCHEMBL7382291;DTXSID20205373;WLN: T5O CS BHJ B1 B1;LS-99699

Chemical Property of 2,2-Dimethyl-1,3-oxathiolane

Chemical Property:

• Vapor Pressure: 4.05mmHg at 25°C
• Boiling Point: 154.6°Cat760mmHg
• Flash Point: 47.3°C
• Density: 1.004g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 70.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCS1)C

Technology Process of 2,2-Dimethyl-1,3-oxathiolane

There total 4 articles about 2,2-Dimethyl-1,3-oxathiolane 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: 96.0%

acetone (67-64-1) + 2-hydroxyethanethiol (60-24-2) → 2,2-dimethyl-1,3-oxathiolane (5684-31-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.166667h;

Reference yield: 86.0%

2,2-dimethoxy-propane (77-76-9) + 2-hydroxyethanethiol (60-24-2) → 2,2-dimethyl-1,3-oxathiolane (5684-31-1)

Guidance literature:

With sodium montmorillonite; In neat (no solvent); at 70 ℃; for 0.5h; Microwave irradiation; Green chemistry;

DOI:10.1021/op980043o

Reference yield: 72.0%

2-ethoxy-1,3-oxathiolane (65225-58-3) + acetone (67-64-1) → 2,2-dimethyl-1,3-oxathiolane (5684-31-1)

Guidance literature:

With mercury dichloride; In dichloromethane; for 16h; Ambient temperature;

DOI:10.1246/bcsj.54.3237

upstream raw materials:

acetone

2-hydroxyethanethiol

2-ethoxy-1,3-oxathiolane

2,2-dimethoxy-propane

Downstream raw materials:

(17Ξ)-3β-acetoxy-spiro[androst-5-en-17,2'-[1,3]oxathiolane]

2-butyl ethyl ether

C₁₇H₃₈OSSn

acetone

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