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CAS 890839-31-3

:

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Description:
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is an organic compound characterized by its complex structure, which includes a chloro substituent and a boron-containing dioxaborolane moiety. This compound features a benzoic acid functional group, which contributes to its acidity and potential reactivity in various chemical reactions. The presence of the tetramethyl dioxaborolane group enhances its utility in synthetic chemistry, particularly in cross-coupling reactions and as a boron source in organic transformations. The chlorine atom introduces electrophilic characteristics, making it a potential candidate for nucleophilic substitution reactions. Additionally, the steric bulk provided by the tetramethyl groups may influence the compound's reactivity and solubility in organic solvents. Overall, this compound is of interest in medicinal chemistry and materials science due to its unique structural features and potential applications in drug development and organic synthesis.
Formula:C13H16BClO4
InChI:InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17)
InChI key:InChIKey=MFHUTQFPFZUQCI-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(Cl)=C(C(O)=O)C=C2
Synonyms:
  • Benzoic acid, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
  • 4-Carboxy-3-chlorophenylboronic acid, pinacol ester
  • 5-Chloro-4-methoxycarbonyl-2-fluorophenylboronic acid pinacol ester
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