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CAS 1150561-63-9

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

Description:
Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzoate is a complex organic compound characterized by its unique functional groups and structural features. It contains a benzoate moiety, which is an aromatic ester, contributing to its potential applications in organic synthesis and medicinal chemistry. The presence of a trifluoromethoxy group enhances its electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions. The dioxaborolane ring is notable for its role in boron chemistry, often utilized in cross-coupling reactions and as a boron source in organic transformations. This compound's structure suggests it may exhibit interesting reactivity patterns due to the interplay between its aromatic system and the electron-withdrawing trifluoromethoxy group. Additionally, the steric bulk provided by the tetramethyl substituents can influence its solubility and reactivity. Overall, this compound exemplifies the intricate design often found in synthetic organic chemistry, with potential implications in materials science and pharmaceuticals.
Formula:C15H18BF3O5
InChI:InChI=1S/C15H18BF3O5/c1-13(2)14(3,4)24-16(23-13)10-6-9(12(20)21-5)7-11(8-10)22-15(17,18)19/h6-8H,1-5H3
InChI key:InChIKey=NLRSCERUFCDHRU-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=CC(OC(F)(F)F)=C2
Synonyms:
  • Benzoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-, methyl ester
  • Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzoate
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