CAS 1020174-05-3

Phenylmethyl 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate

Description:

Phenylmethyl 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate, identified by its CAS number 1020174-05-3, is a complex organic compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound. This substance features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of the dioxaborolane moiety indicates that it may participate in boron chemistry, which is often utilized in organic synthesis and medicinal chemistry. The tetramethyl groups enhance the steric bulk around the boron atom, potentially influencing the compound's reactivity and stability. Additionally, the phenylmethyl group suggests that the compound may exhibit hydrophobic characteristics, affecting its solubility in various solvents. Overall, this compound's unique structural features may confer interesting biological activities and make it a candidate for further research in drug development or synthetic applications.

Formula: C₂₃H₂₈BNO₄

InChI: InChI=1S/C23H28BNO4/c1-22(2)23(3,4)29-24(28-22)20-11-10-19-15-25(13-12-18(19)14-20)21(26)27-16-17-8-6-5-7-9-17/h5-11,14H,12-13,15-16H2,1-4H3

InChI key: InChIKey=UTVQLPVFCCVZTJ-UHFFFAOYSA-N

SMILES: CC1(C)OB(C=2C=C3C(=CC2)CN(C(OCC4=CC=CC=C4)=O)CC3)OC1(C)C

Synonyms:

• 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
• Benzyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
• Phenylmethyl 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate