CAS 1112210-94-2

3-(1-Methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Description:

3-(1-Methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, identified by its CAS number 1112210-94-2, is an organic compound characterized by its complex structure that includes a benzaldehyde moiety and a dioxaborolane group. The presence of the dioxaborolane unit suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions and as a reagent in organic synthesis. The compound features a branched alkyl group, specifically isopropyl, which may influence its solubility and reactivity. Its functional groups indicate that it could participate in various chemical reactions, including nucleophilic additions and electrophilic substitutions. The compound's stability and reactivity can be affected by the steric hindrance introduced by the bulky tetramethyl groups in the dioxaborolane, which may also impact its interactions with other reagents. Overall, this compound is of interest in synthetic organic chemistry, particularly in the development of new methodologies for constructing complex molecular architectures.

Formula: C₁₆H₂₃BO₃

InChI: InChI=1S/C16H23BO3/c1-11(2)13-7-12(10-18)8-14(9-13)17-19-15(3,4)16(5,6)20-17/h7-11H,1-6H3

InChI key: InChIKey=AUMXIZNKENTJFJ-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC(C(C)C)=CC(C=O)=C2

Synonyms:

• Benzaldehyde, 3-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 3-(1-Methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• 3-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde