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CAS 1256346-18-5

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5-Borono-2-methylbenzoic acid

Description:
5-Borono-2-methylbenzoic acid is an organoboron compound characterized by the presence of a boronic acid functional group and a methyl-substituted aromatic ring. Its molecular structure features a boron atom bonded to a hydroxyl group and an aryl group, which contributes to its reactivity and utility in various chemical applications, particularly in organic synthesis and medicinal chemistry. The compound is typically a white to off-white solid and is soluble in polar solvents like water and alcohols, owing to the presence of the carboxylic acid group. It is often used as a building block in the synthesis of complex organic molecules, including pharmaceuticals and agrochemicals, due to its ability to participate in cross-coupling reactions, such as Suzuki-Miyaura coupling. Additionally, the boron atom can enhance the compound's properties, making it useful in materials science and as a potential ligand in coordination chemistry. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C8H9BO4
InChI:InChI=1S/C8H9BO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,12-13H,1H3,(H,10,11)
InChI key:InChIKey=YFXACZJIMXASRO-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(B(O)O)=CC=C1C
Synonyms:
  • 5-Borono-2-methylbenzoic acid
  • Benzoic acid, 5-borono-2-methyl-
  • 3-Carboxy-4-methylphenylboronic acid
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