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CAS 1150271-61-6

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Benzoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-, methyl ester

Description:
Benzoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-, methyl ester, identified by CAS number 1150271-61-6, is an organic compound characterized by its complex structure that includes a benzoic acid moiety, a trifluoromethyl group, and a dioxaborolane substituent. This compound typically exhibits properties associated with both aromatic and boron-containing compounds, such as potential reactivity in nucleophilic substitution reactions due to the presence of the boron atom. The trifluoromethyl group contributes to its lipophilicity and may enhance its biological activity. As a methyl ester, it is likely to be more soluble in organic solvents compared to its acid counterpart. The presence of the dioxaborolane ring suggests potential applications in organic synthesis and materials science, particularly in the development of boron-containing compounds for medicinal chemistry or as intermediates in various chemical reactions. Overall, this compound's unique functional groups may confer interesting chemical reactivity and potential utility in various fields.
Formula:C15H18BF3O4
InChI:InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)11-7-9(12(20)21-5)6-10(8-11)15(17,18)19/h6-8H,1-5H3
InChI key:InChIKey=UDZGGUNDDHBCGY-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(F)(F)F)=CC(C(OC)=O)=C2
Synonyms:
  • (2-Hydroxy-1,1,2-Trimethyl-Propoxy)-[3-Methoxycarbonyl-5-(Trifluoromethyl)Phenyl]Borinic Acid
  • Benzoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-, methyl ester
  • Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzoate
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