2H-oxete

Base Information

• Chemical Name: 2H-oxete
• CAS No.: 287-25-2
• Molecular Formula: C3H4O
• Molecular Weight: 56.0642
• DSSTox Substance ID: DTXSID20474941
• Nikkaji Number: J247.750E
• Wikipedia: Oxetene
• Wikidata: Q220246
• Metabolomics Workbench ID: 57647
• Mol file: 287-25-2.mol

Synonyms:2H-oxete;oxetene;287-25-2;CHEBI:51195;DTXSID20474941;Q220246

Chemical Property of 2H-oxete

Chemical Property:

• PSA: 9.23000
• LogP: 0.53030
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 56.026214747
• Heavy Atom Count: 4
• Complexity: 38.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CO1

Technology Process of 2H-oxete

There total 5 articles about 2H-oxete 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: 11.0%

C10H11N2O3S(1-)*Li(1+) (74898-48-9) → (S)-propyleneoxide (287-25-2) + acrolein (107-02-8,25068-14-8)

Guidance literature:

at 180 - 190 ℃; Yields of byproduct given;

DOI:10.1021/ja00536a069

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → (S)-propyleneoxide (287-25-2)

Guidance literature:

With dinitrogen monoxide; at 320 ℃; under 760.051 Torr; Reagent/catalyst; Gas phase;

DOI:10.1039/c4cy00273c

Reference yield:

3-oxetanyl o-nitrophenyl selenide (75700-25-3) → (S)-propyleneoxide (287-25-2)

Guidance literature:

With ozone; 1,8-diazabicyclo[5.4.0]undec-7-ene; Yield given. Multistep reaction; 1./triglyme, -55 deg C; 2./45 deg C, 2 h;

DOI:10.1021/jo00315a016

upstream raw materials:

3-oxetanyl o-nitrophenyl selenide

C₁₀H₁₁N₂O₃S^(1-)*Li⁽¹⁺⁾

acrolein

propene

Downstream raw materials:

1,2-propylene cyclic carbonate

N-{[1-(2-hydroxypropyl)-pyrrolidine-(3R)-yl-carbamoyl]-methyl}-3-trifluoromethylbenzamide

4-methyloxetan-2-one

acetone

Refernces

• 1、 Chen, Shilong,Zhang, Bingsen,Su, Dangsheng,Huang, Weixin. "Titania Morphology-Dependent Gold-Titania Interaction, Structure, and Catalytic Performance of Gold/Titania Catalysts". . p. 3290 - 3298. Retrieved 2015/10/28.
• 2、 Friedrich, Louis E.,Lam, Patrick Yuk-Sun. "Syntheses and Reactions of 3-Phenyloxete and the Parent Unsubstituted Oxete". . p. 306 - 311. Retrieved 2007/10/02.