CAS 1129541-04-3

3-(4-Morpholinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Description:

3-(4-Morpholinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a chemical compound characterized by its complex structure, which includes a morpholine ring and a dioxaborolane moiety. The presence of the benzonitrile group indicates that it contains a cyano functional group attached to a benzene ring, contributing to its potential reactivity and applications in organic synthesis. The dioxaborolane component is known for its utility in boron chemistry, particularly in cross-coupling reactions and as a boron source in various transformations. This compound may exhibit properties such as moderate solubility in organic solvents, and its morpholine ring can impart basicity and potential interactions with biological targets. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific physical properties such as melting point, boiling point, and solubility would need to be determined experimentally or sourced from literature for precise applications.

Formula: C₁₇H₂₃BN₂O₃

InChI: InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-13(12-19)10-15(11-14)20-5-7-21-8-6-20/h9-11H,5-8H2,1-4H3

InChI key: InChIKey=HOUHHCHQKHPXQQ-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC(=CC(C#N)=C2)N3CCOCC3

Synonyms:

• Benzonitrile, 3-(4-morpholinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 3-(4-Morpholinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile