CAS 85014-12-6

4-Bromo-α-methyl-α-2-propyn-1-ylbenzenemethanol

Description:

4-Bromo-α-methyl-α-2-propyn-1-ylbenzenemethanol, identified by its CAS number 85014-12-6, is an organic compound characterized by the presence of a bromine atom, a propynyl group, and a hydroxyl functional group attached to a benzene ring. This compound features a complex structure that includes a substituted benzene moiety, which contributes to its potential reactivity and interaction with other chemical species. The bromine atom introduces electrophilic characteristics, making it a candidate for nucleophilic substitution reactions. The presence of the hydroxyl group indicates that it can participate in hydrogen bonding, influencing its solubility and boiling point. Additionally, the α-methyl and propynyl substituents can affect the steric and electronic properties of the molecule, potentially impacting its biological activity and reactivity. Overall, this compound may exhibit interesting properties that could be explored in various chemical applications, including synthesis and medicinal chemistry.

Formula: C₁₁H₁₁BrO

InChI: InChI=1S/C11H11BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h1,4-7,13H,8H2,2H3

InChI key: InChIKey=CQVDSRPULLALKA-UHFFFAOYSA-N

SMILES: C(CC#C)(C)(O)C1=CC=C(Br)C=C1

Synonyms:

• 4-Bromo-α-methyl-α-2-propyn-1-ylbenzenemethanol
• Benzenemethanol, 4-bromo-α-methyl-α-2-propynyl-
• 2-(4-Bromophenyl)-4-pentyn-2-ol
• Benzenemethanol, 4-bromo-α-methyl-α-2-propyn-1-yl-
• 2-(4-Bromophenyl)pent-4-yn-2-ol