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CAS 957062-64-5

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1-Methyl 2-borono-4-chlorobenzoate

Description:
1-Methyl 2-borono-4-chlorobenzoate is an organoboron compound characterized by the presence of a boron atom bonded to a benzene ring that also contains a methyl and a chlorine substituent. This compound typically features a boronic acid derivative structure, which is known for its reactivity in various organic synthesis applications, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling. The presence of the methyl group enhances its solubility and reactivity, while the chlorobenzoate moiety provides a functional group that can participate in further chemical transformations. The boron atom in this compound can form stable complexes with various ligands, making it useful in medicinal chemistry and materials science. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity. Overall, 1-Methyl 2-borono-4-chlorobenzoate is a valuable intermediate in the synthesis of more complex organic molecules.
Formula:C8H8BClO4
InChI:InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3
InChI key:InChIKey=JHPMDNPILTXCFY-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(B(O)O)C=C(Cl)C=C1
Synonyms:
  • 1-Methyl 2-borono-4-chlorobenzoate
  • 5-Chloro-2-(methoxycarbonyl)phenylboronic acid
  • [5-Chloro-2-(methoxycarbonyl)phenyl]boronic acid
  • Benzoic acid, 2-borono-4-chloro-, 1-methyl ester
  • (2-(Methoxycarbonyl)-5-chlorophenyl)boronic acid
  • Methyl 2-borono-4-chlorobenzoate
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