CAS 1706452-00-7

Ethyl 3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodobenzoate

Description:

Ethyl 3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodobenzoate, with the CAS number 1706452-00-7, is a chemical compound characterized by its complex structure, which includes an ethyl ester group, an ethoxy substituent, and a 4-fluorophenyl methoxy group attached to a benzoate core. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions, including electrophilic substitutions due to the presence of the iodine atom, which can act as a leaving group. The fluorine atom in the 4-position of the phenyl ring may influence the compound's electronic properties, potentially enhancing its reactivity or altering its solubility in different solvents. Ethyl 3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodobenzoate may find applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features that can interact with biological targets. As with many organic compounds, safety and handling precautions should be observed, given the presence of halogenated and potentially reactive groups.

Formula: C₁₈H₁₈FIO₄

InChI: InChI=1S/C18H18FIO4/c1-3-22-16-10-13(18(21)23-4-2)9-15(20)17(16)24-11-12-5-7-14(19)8-6-12/h5-10H,3-4,11H2,1-2H3

InChI key: InChIKey=PEAQYHKTFDPCPY-UHFFFAOYSA-N

SMILES: O(CC)C1=C(OCC2=CC=C(F)C=C2)C(I)=CC(C(OCC)=O)=C1

Synonyms:

• Ethyl 3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodobenzoate
• Benzoic acid, 3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodo-, ethyl ester