3-Oxetanone

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3-Oxetanone
IUPAC name

oxetan-3-one

Other names

1,3-epoxy-2-propanone
1,3-epoxypropanone
1,3-epoxy-2-propan-2-one

Identifiers
CAS number 6704-31-0 YesY
PubChem 15024254
ChemSpider 11457528 YesY
Jmol-3D images Image 1
Properties
Molecular formula C3H4O2
Molar mass 72.06 g/mol
Density 1.231 g/cm3
Boiling point 140 °C
Hazards
Flash point 53 °C; 127 °F; 326 K
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

3-Oxetanone, also called oxetan-3-one or 1,3-epoxy-2-propanone, is a chemical compound with formula C3H4O2. It is the ketone of oxetane, and an isomer of β-propiolactone.

3-Oxetanone is a liquid at room temperature, that boils at 140 °C. It is a specialty chemical,[1][2] used for research in the synthesis of other oxetanes of pharmacological interest.[3][4] Oxetan-3-one also has been the object of theoretical studies.[5][6]

See also

References

  1. ↑ Synthonix Corp., 3-Oxetanone product sheet. Accessed on 2009-07-10.
  2. ↑ SpiroChem AG, Oxetan-3-one Product Sheet - 2011-07-07
  3. ↑ Wuitschik, G.; Rogers-Evans, M.; Müller, K.; Fischer, H.; Wagner, B.; Schuler, F.; Polonchuk, L.; Carreira, E. M., Oxetanes as promising modules in drug discovery. Angew. Chem., Int. Ed. 2006, volume 45, issue 46, pp. 7736-7739.
  4. ↑ Wuitschik, G.; Rogers-Evans, M.; Buckl, A.; Bernasconi, M.; Marki, M.; Godel, T.; Fischer, H.; Wagner, B.; Parrilla, I.; Schuler, F.; Schneider, J.; Alker, A.; Schweizer, W. B.; Muller, K.; Carreira, E. M., Spirocyclic oxetanes: Synthesis and properties. Angew. Chem., Int. Ed. 2008, volume 47, issue 24, pp. 4512-4515.
  5. ↑ George M. Breuer, Roger S. Lewis, and Edward K. C. Lee (1975), Unimolecular Decomposition Rates of Cyclobutanone, 3-Oxetanone, and Perfluorocyclobutanone. An RRKM Calculation of Internally Converted Hot Molecules J. of Physical Chemistry, volume 79, issue 19. doi:10.1021/j100586a001
  6. ↑ P. C. Martino, P. B. Shevlin and S. D. Worley (1979), The electronics structures of small strained rings. An investigation of the interaction between the oxygen and the π orbitals in 3-methyleneoxetane and 3-oxetanone. Chemical Physics Letters, Volume 68, Issue 1, pp. 237–241. doi:10.1016/0009-2614(79)80109-8
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