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CAS 2121515-17-9

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Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)benzoate

Description:
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)benzoate is a complex organic compound characterized by its unique functional groups and structural features. It contains a benzoate moiety, which is an ester derived from benzoic acid, and is further substituted with a trifluoromethoxy group, enhancing its reactivity and potential applications in various chemical reactions. The presence of the dioxaborolane ring contributes to its boron content, which is significant in organic synthesis, particularly in cross-coupling reactions and as a reagent in the formation of carbon-carbon bonds. This compound is likely to exhibit moderate to high polarity due to the presence of electronegative fluorine atoms and the ester functional group. Its stability and reactivity can be influenced by the steric hindrance provided by the tetramethyl groups. Overall, this compound may find applications in medicinal chemistry, materials science, and as an intermediate in the synthesis of more complex organic molecules.
Formula:C16H20BF3O5
InChI:InChI=1S/C16H20BF3O5/c1-6-22-13(21)11-9-10(7-8-12(11)23-16(18,19)20)17-24-14(2,3)15(4,5)25-17/h7-9H,6H2,1-5H3
InChI key:InChIKey=LSLYULZWVCURCK-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OCC)=O)=C(OC(F)(F)F)C=C2
Synonyms:
  • Benzoic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)-, ethyl ester
  • Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)benzoate
  • EThyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)benzoate
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