3-Oxetanone

Base Information

• Chemical Name: 3-Oxetanone
• CAS No.: 6704-31-0
• Molecular Formula: C3H4O2
• Molecular Weight: 72.0636
• Hs Code.: 29329990
• Mol file: 6704-31-0.mol

Synonyms:2-Propanone,1,3-epoxy- (8CI);oxetan-3-one;

Chemical Property of 3-Oxetanone

Chemical Property:

• Refractive Index: 1.426
• Boiling Point: 139.7 °C at 760 mmHg
• Flash Point: 52.931 °C
• PSA: 26.30000
• Density: 1.231 g/cm³
• LogP: -0.41430
• Storage Temp.: ?20°C
• Solubility.: Miscible with tetrahydrofuran.

Purity/Quality:

99% ^*data from raw suppliers

3-Oxetanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22-37/38-41-43
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3-Oxetanone is used as a starting material for the preparation of other oxetanes compounds, which are of pharmacological interest. It is also considered as an object for theoretical studies. 3-Oxetanone can be used to synthesize:Various oxetane-containing lead compounds with improved solubility, reduced lipophilicity and amphiphilicity.(Hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles via single-step microwave mediated reaction with primary amides and thioamides, respectively.Oxetane containing spirocycles through thermal 1,3-dipolar cycloaddition reaction with α-amino acids or secondary α-amino acid esters.

Technology Process of 3-Oxetanone

There total 8 articles about 3-Oxetanone 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: 92.0%

C5H8O3 → oxetan-3-one (6704-31-0)

Guidance literature:

With phosphoric acid; In water; Reagent/catalyst;

Reference yield: 72.0%

3-chloro-2-oxopropyl-2-bromobenzoate → oxetan-3-one (6704-31-0)

Guidance literature:

With potassium hydroxide; In methanol; at 80 ℃; for 8h; Solvent; Temperature; Reagent/catalyst;

Reference yield: 65.3%

oxetan-3-ol (7748-36-9) → oxetan-3-one (6704-31-0)

Guidance literature:

With phosphorus pentoxide; triethylamine; In dichloromethane; dimethyl sulfoxide; at 10 - 40 ℃; for 2h; Solvent; Reagent/catalyst;

upstream raw materials:

diazomethane

chloroacetyl chloride

3,3-dimethoxyoxetane

oxetan-3-ol

Downstream raw materials:

N-benzyloxycarbonyl-α,β-didehydro-(3-oxetanyl)glycine methyl ester

[3-(3-hydroxy-oxetan-3-yl)-phenyl]-carbamic acid tert-butyl ester

ethyl 2-(oxetan-3-ylidene)acetate

3-[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridin-3-yl]-oxetan-3-ol

Refernces

• 1、 -. "A method for synthesis of oxetane butanone (by machine translation)". Paragraph 0021; 0022. . Retrieved 2019/03/26.
• 2、 -. "Preparation method for 3-oxetanone". Paragraph 0050; 0051; 0052; 0053; 0054; 0055; 0056-0064. . Retrieved 2019/01/08.