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CAS 625470-33-9

:

Benzoic acid, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

Description:
Benzoic acid, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, identified by CAS number 625470-33-9, is an organic compound characterized by its complex structure that includes a benzoic acid moiety, a chloro substituent, and a boron-containing dioxaborolane group. This compound typically exhibits properties associated with both aromatic and boron-containing compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of the chloro group. The dioxaborolane unit may confer unique reactivity patterns, particularly in cross-coupling reactions, making it of interest in synthetic organic chemistry. Additionally, the methyl ester functional group suggests that it can undergo hydrolysis to yield benzoic acid, which is a common preservative and intermediate in organic synthesis. Overall, this compound's structure suggests potential applications in pharmaceuticals, agrochemicals, and materials science, particularly in the development of boron-containing compounds for various chemical transformations.
Formula:C14H18BClO4
InChI:InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5/h6-8H,1-5H3
InChI key:InChIKey=XXYMDCFDGJPULO-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=C(Cl)C=C2
Synonyms:
  • Benzoic acid, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • 2-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid methyl ester
  • Methyl 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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