CAS 872783-69-2

4-Iodo-β,β-dimethylbenzenepropanoic acid

Description:

4-Iodo-β,β-dimethylbenzenepropanoic acid, also known by its CAS number 872783-69-2, is an organic compound characterized by the presence of an iodo substituent on a benzene ring, along with a propanoic acid functional group. This compound features a β,β-dimethyl substitution pattern, which contributes to its unique steric and electronic properties. The iodo group enhances the compound's reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. The presence of the carboxylic acid group indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. Additionally, the bulky dimethyl groups can influence the compound's conformational stability and steric hindrance, affecting its interactions with biological systems or other chemical entities. Overall, 4-Iodo-β,β-dimethylbenzenepropanoic acid is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or materials science due to its distinctive structural features.

Formula: C₁₁H₁₃IO₂

InChI: InChI=1S/C11H13IO2/c1-11(2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)

InChI key: InChIKey=TVDIBDYNMHXDST-UHFFFAOYSA-N

SMILES: C(CC(O)=O)(C)(C)C1=CC=C(I)C=C1

Synonyms:

• 4-Iodo-β,β-dimethylbenzenepropanoic acid
• Hydrocinnamic acid, p-iodo-β,β-dimethyl-
• Benzenepropanoic acid, 4-iodo-β,β-dimethyl-