CAS 1451391-31-3
:4-Borono-3-chloro-2-methylbenzoic acid
Description:
4-Borono-3-chloro-2-methylbenzoic acid is an organic compound characterized by the presence of a boronic acid functional group, a chlorine atom, and a methyl group attached to a benzoic acid framework. This compound features a boron atom bonded to a hydroxyl group and an aryl group, which is significant for its reactivity in cross-coupling reactions, particularly in the synthesis of complex organic molecules. The chlorine substituent introduces electrophilic characteristics, enhancing its utility in various chemical transformations. The methyl group contributes to the compound's hydrophobic properties, influencing its solubility and interaction with biological systems. As a benzoic acid derivative, it exhibits acidic properties, allowing it to participate in acid-base reactions. The compound's structural features make it valuable in medicinal chemistry and materials science, particularly in the development of pharmaceuticals and agrochemicals. Its specific reactivity and functionalization potential are of interest in synthetic organic chemistry, especially in the context of Suzuki-Miyaura coupling reactions.
Formula:C8H8BClO4
InChI:InChI=1S/C8H8BClO4/c1-4-5(8(11)12)2-3-6(7(4)10)9(13)14/h2-3,13-14H,1H3,(H,11,12)
InChI key:InChIKey=JFFNXUFLYIBJFP-UHFFFAOYSA-N
SMILES:B(O)(O)C1=C(Cl)C(C)=C(C(O)=O)C=C1
Synonyms:- Benzoic acid, 4-borono-3-chloro-2-methyl-
- 3-Chloro-4-(dihydroxyboranyl)-2-methylbenzoic acid
- 4-Borono-3-chloro-2-methylbenzoic acid
- 4-Borono-3-chloro-2-methyl-benzoic acid
- 4-Carboxy-2-chloro-3-methylphenylboronic acid
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