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CAS 1415960-54-1

:

Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate

Description:
Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate is a chemical compound characterized by its complex structure, which includes a benzene ring substituted with both an acetate group and a dioxaborolane moiety. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in reactions involving boron chemistry, such as Suzuki coupling reactions. This compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It may exhibit moderate to low solubility in water but is expected to be soluble in organic solvents like ethanol and dichloromethane. The presence of multiple functional groups indicates that it may participate in various chemical reactions, making it a versatile intermediate in synthetic organic chemistry. Safety data should be consulted for handling and storage, as compounds containing boron can have specific reactivity and toxicity profiles. Overall, this compound represents a valuable building block in the field of medicinal chemistry and materials science.
Formula:C16H23BO4
InChI:InChI=1S/C16H23BO4/c1-11-9-13(8-7-12(11)10-14(18)19-6)17-20-15(2,3)16(4,5)21-17/h7-9H,10H2,1-6H3
InChI key:InChIKey=RMCPHBITAFLGEA-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C)=C(CC(OC)=O)C=C2
Synonyms:
  • Benzeneacetic acid, 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate
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