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CAS 898786-27-1

:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-butanone

Description:
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-butanone, with the CAS number 898786-27-1, is an organic compound characterized by its complex structure that includes a dioxane ring and a nitrophenyl group. This compound typically exhibits properties associated with both ketones and aromatic compounds, such as moderate polarity and potential reactivity due to the presence of the nitro group. The dioxane moiety contributes to its stability and solubility in various organic solvents. The presence of the nitrophenyl group may impart specific electronic properties, making it useful in various chemical applications, including as a potential intermediate in organic synthesis or in the development of pharmaceuticals. Its molecular structure suggests it may participate in electrophilic aromatic substitution reactions and could be of interest in materials science or medicinal chemistry. As with many organic compounds, safety data and handling precautions should be considered, particularly due to the presence of the nitro group, which can be sensitive under certain conditions.
Formula:C16H21NO5
InChI:InChI=1S/C16H21NO5/c1-16(2)10-21-15(22-11-16)8-4-7-14(18)12-5-3-6-13(9-12)17(19)20/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3
InChI key:InChIKey=HNLLTLRBRGZANY-UHFFFAOYSA-N
SMILES:C(CCCC1OCC(C)(C)CO1)(=O)C2=CC(N(=O)=O)=CC=C2
Synonyms:
  • 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-butanone
  • 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-
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