Description

Ethyl 2-fluoro-5-iodobenzoate (CAS No. 773136-66-6) is a high-purity fluorinated and iodinated benzoate ester with the molecular formula C₉H₈FIO₂. This specialized organic compound is widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis. The presence of both fluorine and iodine substituents on the aromatic ring makes it a versatile building block for cross-coupling reactions, such as Suzuki-Miyaura and Sonogashira couplings. Its ethyl ester group enhances solubility in organic solvents, facilitating its use in various synthetic protocols. Available in >98% purity (HPLC), this compound is rigorously tested for consistency and stability, ensuring optimal performance in demanding research applications. Packaged under inert gas to prevent degradation, it is ideal for use in medicinal chemistry, ligand design, and heterocyclic synthesis.

Properties

• CAS Number: 773136-66-6
• Complexity: 186
• IUPAC Name: ethyl 2-fluoro-5-iodo-benzoate
• InChI: InChI=1S/C9H8FIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
• InChI Key: GHRYAGFJSZGCAQ-UHFFFAOYSA-N
• Exact Mass: 293.95531
• Molecular Formula: C9H8FIO2
• Molecular Weight: 294.06
• SMILES: CCOC(=O)C1=C(C=CC(=C1)I)F
• Topological: 26.3
• Monoisotopic Mass: 293.95531
• Synonyms: Ethyl 2-fluoro-5-iodobenzoate, 773136-66-6, Ethyl-2-fluoro-5-iodobenzoate, Benzoic acid, 2-fluoro-5-iodo-, ethyl ester, MFCD06204769, Ethyl2-fluoro-5-iodobenzoate, SCHEMBL4150684, DTXSID00998559, GHRYAGFJSZGCAQ-UHFFFAOYSA-N, AKOS017560251, DS-10433, CS-0044520, C13331

Application

Ethyl 2-fluoro-5-iodobenzoate serves as a key intermediate in the synthesis of fluorinated and iodinated aromatic compounds, particularly in pharmaceutical research for drug discovery. Its reactive iodine moiety enables efficient participation in palladium-catalyzed cross-coupling reactions, making it valuable for constructing complex molecular architectures. Researchers also employ it in the development of agrochemicals and specialty materials requiring halogenated aromatic frameworks.

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