CAS 1012785-45-3

4-[[3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl]morpholine

Description:

4-[[3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl]morpholine, identified by its CAS number 1012785-45-3, is a chemical compound that features a morpholine ring, which is a six-membered heterocyclic structure containing one nitrogen atom. This compound also contains a phenyl group substituted with a boron-containing moiety, specifically a 5,5-dimethyl-1,3,2-dioxaborinane, which contributes to its unique properties. The presence of the dioxaborinane unit suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions and as a reagent in organic synthesis. The morpholine component may enhance solubility and reactivity, making it suitable for various chemical transformations. Additionally, the compound's structure indicates potential biological activity, as morpholines are often found in pharmaceuticals. Overall, this compound exemplifies the intersection of organic synthesis and medicinal chemistry, with characteristics that may be leveraged for innovative applications in drug development and materials science.

Formula: C₁₆H₂₄BNO₃

InChI: InChI=1S/C16H24BNO3/c1-16(2)12-20-17(21-13-16)15-5-3-4-14(10-15)11-18-6-8-19-9-7-18/h3-5,10H,6-9,11-13H2,1-2H3

InChI key: InChIKey=GQPSONWUTZWADM-UHFFFAOYSA-N

SMILES: C(C=1C=C(C=CC1)B2OCC(C)(C)CO2)N3CCOCC3

Synonyms:

• Morpholine, 4-[[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl]-
• 4-[[3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methyl]morpholine