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CAS 844891-01-6

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4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline

Description:
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline, identified by its CAS number 844891-01-6, is a chemical compound that features a unique structure combining an isoquinoline moiety with a dioxaborinane group. The presence of the dioxaborinane ring contributes to its potential reactivity and utility in various chemical applications, particularly in organic synthesis and medicinal chemistry. The dimethyl substitution on the dioxaborinane enhances its steric properties, which can influence its reactivity and interactions with other molecules. Isoquinoline derivatives are known for their biological activity, making this compound of interest for pharmaceutical research. Additionally, the boron atom in the dioxaborinane can participate in coordination chemistry, potentially allowing for the formation of complexes with other ligands. Overall, this compound exemplifies the intersection of organic chemistry and materials science, with implications for drug development and the synthesis of novel chemical entities.
Formula:C14H16BNO2
InChI:InChI=1/C14H16BNO2/c1-14(2)9-17-15(18-10-14)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,9-10H2,1-2H3
SMILES:CC1(C)COB(c2cncc3ccccc23)OC1
Synonyms:
  • Isoquinoline-4-boronic acid 2,2-dimethylpropane-1,3-diol cyclic ester
  • Isoquinoline-4-Boronic Acid 2,2-Dimethylpropanediol-1,3 Cyclic Ester
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