5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide

Base Information

• Chemical Name: 5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide
• CAS No.: 89729-09-9
• Molecular Formula: C5H8O3
• Molecular Weight: 148.183
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID701008957
• Wikidata: Q72460616
• Mol file: 89729-09-9.mol

Synonyms:89729-09-9;5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide;1,1-Cyclopropane dimethanol cyclic sulfite;5,7-Dioxa-6-thia-spiro[2,5]octane-6-oxide;5,7-dioxa-6lambda4-thiaspiro[2.5]octane 6-oxide;5.7-Dioxa-6-thia-spiro[2.5]octane-6-oxide;SCHEMBL5007880;AISMUYPWEMPRTF-UHFFFAOYSA-N;DTXSID701008957;MFCD09832878;AKOS006326846;1,1-Cyclopropane dimethanol cyclic sulphate;5,7-Dioxa-6-thiaspiro[2.5]octane6-oxide;CS-0208888;FT-0694753;5,7-dioxa-6-thia-spiro[2.5]octane 6-oxide;5,7-dioxa-6|E?-thiaspiro[2.5]octan-6-one;EN300-244844;5,7-dioxa-6lambda4-thiaspiro[2.5]octan-6-one;5,7-Dioxa-6lambda~4~-thiaspiro[2.5]octan-6-one;J-503734;5,7-DIOXA-6??-THIASPIRO[2.5]OCTAN-6-ONE

Chemical Property of 5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide

Chemical Property:

• Refractive Index: 1.495
• Boiling Point: 242.8 °C at 760 mmHg
• Flash Point: 100.6 °C
• Density: 1.51 g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 148.01941529
• Heavy Atom Count: 9
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dioxa-6-thiaspiro[2.5]octane6-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC12COS(=O)OC2
• Uses: 5,7-Dioxa-6-thiaspiro[2.5]octane 6-Oxide is used as a reagent in the synthesis of benzothiazole and thiazole substituted benzyl alcohols as potent LTD4 antagonists.

Technology Process of 5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide

There total 3 articles about 5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide 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: 93.0%

[1-(hydroxymethyl)cyclopropyl]methanol (39590-81-3) → 5,7-dioxa-6-thia-spiro[2.5]octane 6-oxide (89729-09-9)

Guidance literature:

With thionyl chloride; In dichloromethane; at -5 ℃; for 2.5h;

Reference yield:

diethyl cyclopropane-1,1-dicarboxylate (1559-02-0) → 5,7-dioxa-6-thia-spiro[2.5]octane 6-oxide (89729-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / LiAlH₄ / tetrahydrofuran / 0 °C

2: thionyl chloride, pyridine / 1 h / 0 °C

With pyridine; lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran;

DOI:10.1246/bcsj.53.146

Reference yield:

→ 5,7-dioxa-6-thia-spiro[2.5]octane 6-oxide (89729-09-9)

Guidance literature:

2,2-Bis-brommethyl-trimethylensulfit, Zn-Staub/A. (90grad);

upstream raw materials:

[1-(hydroxymethyl)cyclopropyl]methanol

diethyl cyclopropane-1,1-dicarboxylate

Downstream raw materials:

5,7-dioxa-6-thiaspiro[2.5]octane 6,6-dioxide

1-(hydroxymethyl)cyclopropaneacetonitrile