CAS 890098-39-2

ethyl 2-(3-iodobenzoyl)benzoate

Description:

Ethyl 2-(3-iodobenzoyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoyl moiety substituted with an iodine atom at the meta position, contributing to its unique chemical properties. The presence of the iodine atom can enhance the compound's reactivity, particularly in nucleophilic substitution reactions, due to the electronegative nature of iodine. Ethyl 2-(3-iodobenzoyl)benzoate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents such as ethanol and dichloromethane. Its molecular structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, where the iodine substituent can serve as a useful handle for further chemical modifications. Additionally, the compound may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₆H₁₃IO₃

InChI: InChI=1/C16H13IO3/c1-2-20-16(19)14-9-4-3-8-13(14)15(18)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3

InChI key: InChIKey=QGMNPDGUCSMKHT-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C(OCC)=O)C=CC=C1)C2=CC(I)=CC=C2

Synonyms:

• Benzoic acid, 2-(3-iodobenzoyl)-, ethyl ester
• 2-Ethoxycarbonyl-3′-iodobenzophenone
• Ethyl 2-(3-iodobenzoyl)benzoate