CAS 1175525-91-3

[4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester

Description:

[4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester, with the CAS number 1175525-91-3, is a chemical compound characterized by its complex structure that includes a methoxy group, a phenyl ring, and a dioxaborolane moiety. This compound typically exhibits properties associated with both organic esters and boron-containing compounds, which can enhance its reactivity and solubility in organic solvents. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in cross-coupling reactions and as a reagent in various chemical transformations. Additionally, the ethyl ester functionality may influence its biological activity and solubility profile, making it of interest in medicinal chemistry. Overall, this compound's unique structural features contribute to its potential utility in various chemical applications, including drug development and materials science.

Formula: C₁₇H₂₅BO₅

InChI: InChI=1S/C17H25BO5/c1-7-21-15(19)11-12-8-9-14(20-6)13(10-12)18-22-16(2,3)17(4,5)23-18/h8-10H,7,11H2,1-6H3

InChI key: InChIKey=XBSUKMMUZUPEQR-UHFFFAOYSA-N

SMILES: O(C)C1=C(B2OC(C)(C)C(C)(C)O2)C=C(CC(OCC)=O)C=C1

Synonyms:

• Benzeneacetic acid, 4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
• [4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]acetic acid ethyl ester