Description

Ethyl 2-iodo-5-methylbenzoate (CAS No. 933585-44-5) is a high-purity organic compound with the molecular formula C₁₀H₁₁IO₂. This iodinated aromatic ester is widely utilized in synthetic organic chemistry, particularly as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Its molecular structure features a reactive iodo substituent at the ortho position and a methyl group at the meta position, enabling selective cross-coupling reactions such as Suzuki-Miyaura or Stille couplings. Available in >98% purity (GC), this compound is supplied in rigorously tested batches to ensure consistency for research and industrial applications. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 933585-44-5
• Complexity: 182
• IUPAC Name: ethyl 2-iodo-5-methyl-benzoate
• InChI: InChI=1S/C10H11IO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3
• InChI Key: SVWOPCVCIDLBEY-UHFFFAOYSA-N
• Exact Mass: 289.98038
• Molecular Formula: C10H11IO2
• Molecular Weight: 290.10
• SMILES: CCOC(=O)C1=C(C=CC(=C1)C)I
• Topological: 26.3
• Monoisotopic Mass: 289.98038
• Synonyms: Ethyl 2-iodo-5-methylbenzoate, 933585-44-5, DTXSID00657013, DTXCID30607763, Ethyl2-iodo-5-methylbenzoate, MFCD09998719, SCHEMBL14048740, AKOS025403205, DS-10019, DB-264928

Application

Ethyl 2-iodo-5-methylbenzoate serves as a key building block in palladium-catalyzed cross-coupling reactions for constructing complex biaryl systems. It is particularly valuable in medicinal chemistry for introducing iodinated aromatic motifs into drug candidates. The compound’s ester group also allows further functionalization through hydrolysis or transesterification, making it a flexible intermediate in multistep syntheses.

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