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CAS 1146214-79-0

:

Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)benzoate

Description:
Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)benzoate is a specialized organic compound characterized by its complex structure, which includes a benzoate moiety and a dioxaborolane group. This compound features a trifluoromethyl group, which enhances its lipophilicity and can influence its reactivity and biological activity. The presence of the dioxaborolane ring suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions, where boron-containing compounds are valuable intermediates. The tetramethyl substitution on the dioxaborolane contributes to steric hindrance, which may affect the compound's reactivity and stability. Additionally, the methyl ester functionality indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid. Overall, this compound's unique structural features make it of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its specific properties, such as solubility, melting point, and reactivity, would need to be determined through experimental characterization.
Formula:C15H18BF3O4
InChI:InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)10-8-6-7-9(15(17,18)19)11(10)12(20)21-5/h6-8H,1-5H3
InChI key:InChIKey=VHFPDXBJMZLLHW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C=CC=C1C(F)(F)F)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Benzoic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-, methyl ester
  • Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)benzoate
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