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CAS 929626-18-6

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1-Methyl 3-borono-5-methylbenzoate

Description:
1-Methyl 3-borono-5-methylbenzoate is an organic compound characterized by the presence of a boron atom attached to a benzene ring, which is further substituted with methyl and ester functional groups. This compound features a boronic acid derivative, which is significant in organic synthesis, particularly in cross-coupling reactions such as Suzuki coupling. The presence of the methyl groups enhances its lipophilicity and may influence its reactivity and solubility in organic solvents. The ester functional group contributes to its potential as a building block in the synthesis of more complex molecules. Additionally, the boron atom can participate in various chemical reactions, making this compound valuable in medicinal chemistry and materials science. Its unique structure allows for specific interactions in biological systems, which can be explored for therapeutic applications. Overall, 1-Methyl 3-borono-5-methylbenzoate is a versatile compound with significant implications in synthetic organic chemistry and related fields.
Formula:C9H11BO4
InChI:InChI=1S/C9H11BO4/c1-6-3-7(9(11)14-2)5-8(4-6)10(12)13/h3-5,12-13H,1-2H3
InChI key:InChIKey=NXVIETJDAUYFAD-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(B(O)O)=CC(C)=C1
Synonyms:
  • [3-(Methoxycarbonyl)-5-methylphenyl]boronic acid
  • Benzoic acid, 3-borono-5-methyl-, 1-methyl ester
  • 1-Methyl 3-borono-5-methylbenzoate
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