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CAS 936728-21-1

:

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

Description:
2-Chloro-5-(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, indicating it has acidic properties due to the carboxylic acid (-COOH) group. The presence of the chloro group enhances its reactivity and may influence its solubility and interaction with other chemical species. The tetramethyl dioxaborolane unit contributes to its potential applications in organic synthesis, particularly in cross-coupling reactions, as boron-containing compounds are often used as intermediates in the formation of carbon-carbon bonds. Additionally, the steric bulk provided by the tetramethyl groups may affect the compound's reactivity and selectivity in chemical reactions. Overall, this compound is of interest in the fields of medicinal chemistry and materials science due to its unique structural features and potential applications in various synthetic pathways.
Formula:C13H16BClO4
InChI:InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-10(15)9(7-8)11(16)17/h5-7H,1-4H3,(H,16,17)
InChI key:InChIKey=VUWPWVQNFRBOLI-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(O)=O)=C(Cl)C=C2
Synonyms:
  • 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
  • Benzoic acid, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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