3,3-Dimethoxyoxetane

Base Information

• Chemical Name: 3,3-Dimethoxyoxetane
• CAS No.: 922500-97-8
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20580218
• Wikidata: Q82470994
• Mol file: 922500-97-8.mol

Synonyms:3,3-DIMETHOXYOXETANE;922500-97-8;3,3-Dimethoxy-oxetane;MFCD12545828;DTXSID20580218;XLB50097;AKOS015996228;PB28447;AS-32685;SY067909;CS-0057692

Chemical Property of 3,3-Dimethoxyoxetane

Chemical Property:

• Boiling Point: 119.1±30.0 °C(Predicted)
• PSA: 27.69000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 0.00570
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 71.7

Purity/Quality:

98%min ^*data from raw suppliers

3,3-Dimethoxyoxetane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1(COC1)OC

Technology Process of 3,3-Dimethoxyoxetane

There total 2 articles about 3,3-Dimethoxyoxetane 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:

toluene-4-sulfonic acid 3-hydroxy-2,2-dimethoxy-propyl ester → 3,3-dimethoxyoxetane (922500-97-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1002/anie.200602343

Reference yield:

2,2-dimethoxypropane-1,3-diol (153214-82-5) → 3,3-dimethoxyoxetane (922500-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: n-BuLi / hexane; tetrahydrofuran / 1 h

2: 29.87 g / NaH / tetrahydrofuran; various solvent(s) / 0 - 20 °C

With n-butyllithium; sodium hydride; In tetrahydrofuran; hexane;

DOI:10.1002/anie.200602343

Reference yield: 62.0%

3,3-dimethoxyoxetane (922500-97-8) → oxetan-3-one (6704-31-0)

Guidance literature:

With Montmorillonite K₁₀ clay; In dichloromethane; for 70h; Heating;

DOI:10.1002/anie.200602343

upstream raw materials:

2,2-dimethoxypropane-1,3-diol

Downstream raw materials:

oxetan-3-one

(±)-2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide

Refernces