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CAS 1379811-87-6

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Phenylmethyl 3-(nitromethyl)-3-oxetaneacetate

Description:
Phenylmethyl 3-(nitromethyl)-3-oxetaneacetate, identified by its CAS number 1379811-87-6, is a chemical compound that features a unique structure combining an oxetane ring with a nitromethyl group and an ester functional group. The presence of the oxetane ring contributes to its potential reactivity and stability, while the nitromethyl group may impart specific electronic properties, influencing its behavior in chemical reactions. This compound is likely to exhibit characteristics typical of esters, such as being relatively non-polar and having moderate solubility in organic solvents. Its molecular structure suggests potential applications in organic synthesis, possibly as an intermediate in the production of more complex molecules. Additionally, the nitro group may enhance its reactivity, making it a candidate for further functionalization. However, detailed studies would be necessary to fully understand its physical and chemical properties, including boiling and melting points, reactivity profiles, and potential applications in various fields such as pharmaceuticals or materials science.
Formula:C13H15NO5
InChI:InChI=1S/C13H15NO5/c15-12(19-7-11-4-2-1-3-5-11)6-13(8-14(16)17)9-18-10-13/h1-5H,6-10H2
InChI key:InChIKey=GVQWDHVSVMXSQA-UHFFFAOYSA-N
SMILES:C(C(OCC1=CC=CC=C1)=O)C2(CN(=O)=O)COC2
Synonyms:
  • Phenylmethyl 3-(nitromethyl)-3-oxetaneacetate
  • 3-Oxetaneacetic acid, 3-(nitromethyl)-, phenylmethyl ester
  • Benzyl 2-(3-(nitromethyl)oxetan-3-yl)acetate
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