CAS 2096332-20-4

2-Chloro-N,N-diethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenemethanamine

Description:

2-Chloro-N,N-diethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenemethanamine is a chemical compound characterized by its complex structure, which includes a chloro group, diethyl amine moiety, and a boron-containing dioxaborolane. This compound features a benzene ring substituted at the 6-position with a dioxaborolane, which is known for its utility in organic synthesis, particularly in cross-coupling reactions. The presence of the chloro group enhances its reactivity, making it a potential candidate for further functionalization. The diethyl amine component contributes to its basicity and solubility properties, which can influence its behavior in various chemical environments. Additionally, the tetramethyl groups in the dioxaborolane provide steric hindrance, which can affect the compound's reactivity and stability. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique structural features and potential applications in synthetic methodologies.

Formula: C₁₇H₂₇BClNO₂

InChI: InChI=1S/C17H27BClNO2/c1-7-20(8-2)12-13-14(10-9-11-15(13)19)18-21-16(3,4)17(5,6)22-18/h9-11H,7-8,12H2,1-6H3

InChI key: InChIKey=IMTUNIYOSPVFSO-UHFFFAOYSA-N

SMILES: C(N(CC)CC)C1=C(C=CC=C1Cl)B2OC(C)(C)C(C)(C)O2

Synonyms:

• Benzenemethanamine, 2-chloro-N,N-diethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 2-Chloro-N,N-diethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenemethanamine