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CAS 1165935-97-6

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2-[3-Chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Description:
2-[3-Chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is an organoboron compound characterized by its unique structural features, including a dioxaborolane ring and a chlorinated aromatic substituent. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its reactivity and interactions in various chemical environments. This compound is typically used in organic synthesis, particularly in cross-coupling reactions, due to the reactivity of the boron atom, which can participate in nucleophilic substitutions. Its chlorinated aromatic moiety can also serve as a versatile building block in the synthesis of more complex molecules. The compound's stability, solubility, and reactivity can be influenced by the steric hindrance provided by the tetramethyl groups, which may affect its behavior in different solvents and under various reaction conditions. Overall, this substance is of interest in medicinal chemistry and materials science for its potential applications in drug development and the creation of functional materials.
Formula:C13H15BClF3O2
InChI:InChI=1S/C13H15BClF3O2/c1-11(2)12(3,4)20-14(19-11)8-5-6-9(10(15)7-8)13(16,17)18/h5-7H,1-4H3
InChI key:InChIKey=NMSGFQRKMAIWHH-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(Cl)=C(C(F)(F)F)C=C2
Synonyms:
  • 1,3,2-Dioxaborolane, 2-[3-chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-
  • 2-[3-Chloro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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