6704-31-0
Chemical Structure
3-Oxetanone
Synonym(s): Oxetan-3-one
- CAS No.: 6704-31-0
- Formula:C3H4O2
- Molecular Weight:72.06
IUPAC Name: oxetan-3-one
InChIKey: ROADCYAOHVSOLQ-UHFFFAOYSA-N
SMILES: O=C1COC1
Biological Activity: 3-Oxetanone (Oxetan-3-one) is a four-membered cyclic ketone and strained cyclic ether derivative with measurable molecular g-value, magnetic susceptibility anisotropy and molecular quadrupole moment. 3-Oxetanone acts not only as a hydrogen bond acceptor, a tetrel donor and a weak hydrogen bond acceptor, but also forms a classic O-H···O hydrogen bond with H2O via the ether oxygen atom. Alternatively, it forms a C···O tetrel bond with formaldehyde using its carbonyl group as a tetrel donor, while acting as a proton acceptor to form a C-H···O weak hydrogen bond with formaldehyde. 3-Oxetanone can be used to prepare various oxetanes[1][2].
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3-Oxetanone | 99.54% | 3-Oxetanone (Oxetan-3-one) is a four-membered cyclic ketone and strained cyclic ether derivative with measurable molecular g-value, magnetic susceptibility anisotropy and molecular quadrupole moment. 3-Oxetanone acts not only as a hydrogen bond acceptor, a tetrel donor and a weak hydrogen bond acceptor, but also forms a classic O-H···O hydrogen bond with H2O via the ether oxygen atom. Alternatively, it forms a C···O tetrel bond with formaldehyde using its carbonyl group as a tetrel donor, while acting as a proton acceptor to form a C-H···O weak hydrogen bond with formaldehyde. 3-Oxetanone can be used to prepare various oxetanes. | ||||||||||||||||||||
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References
- [1]. Norris C L, et al. Molecular Zeeman effect of 3-oxetanone and 3-methylene oxetane, and the comparison of the magnetic-susceptibility anisotropies, molecular quadrupole moments, and other magnetic parameters with other four-membered rings[J]. Chemical Physics, 1973, 1(1): 1-8.
- [2]. Chen J , et al. Hydrogen versus tetrel bonds in complexes of 3-oxetanone with water and formaldehyde. Phys Chem Chem Phys. 2021;23(12):7295-7301. [Content Brief]
