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CAS 883898-98-4

:

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile

Description:
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile, with the CAS number 883898-98-4, is a chemical compound that features a complex structure incorporating both a dioxaborinane moiety and a trifluoromethyl-substituted benzonitrile. The presence of the dioxaborinane ring suggests potential applications in organoboron chemistry, particularly in reactions involving boron as a Lewis acid or in cross-coupling reactions. The trifluoromethyl group is known for imparting unique electronic properties, enhancing lipophilicity, and influencing the compound's reactivity and stability. This compound may exhibit interesting biological activities or serve as a building block in the synthesis of more complex molecules. Its physical properties, such as solubility, melting point, and boiling point, would depend on the specific interactions between its functional groups and the solvent environment. Overall, this compound represents a valuable entity in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals.
Formula:C13H13BF3NO2
InChI:InChI=1S/C13H13BF3NO2/c1-12(2)7-19-14(20-8-12)11-4-3-10(13(15,16)17)5-9(11)6-18/h3-5H,7-8H2,1-2H3
InChI key:InChIKey=VJLXENOHERNTEB-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C=CC(C(F)(F)F)=C1)B2OCC(C)(C)CO2
Synonyms:
  • 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)-
  • 4-TRIFLUOROMETHYL-2-CYANOPHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
  • 2-Cyano-4-trifluoromethylphenylboronic acid neopentyl glycol ester
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