Description

Ethyl 2-(2-iodophenyl)acetate (CAS No. 90794-29-9) is a high-purity organic compound with the molecular formula C₁₀H₁₁IO₂. This ester derivative of 2-iodophenylacetic acid is a valuable building block in synthetic organic chemistry, particularly in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The compound is characterized by its clear to pale yellow liquid appearance and is supplied with a typical purity of ≥97% (GC). It is stored under inert conditions to ensure stability and longevity. Ethyl 2-(2-iodophenyl)acetate is widely utilized in cross-coupling reactions, such as Suzuki-Miyaura and Heck reactions, due to the reactivity of the iodine substituent. Proper handling requires the use of personal protective equipment, including gloves and safety goggles, in a well-ventilated laboratory environment.

Properties

• CAS Number: 90794-29-9
• Complexity: 170
• IUPAC Name: ethyl 2-(2-iodophenyl)acetate
• InChI: InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
• InChI Key: XBKDPADMOCFNED-UHFFFAOYSA-N
• Exact Mass: 289.98038
• Molecular Formula: C10H11IO2
• Molecular Weight: 290.10
• SMILES: CCOC(=O)CC1=CC=CC=C1I
• Topological: 26.3
• Monoisotopic Mass: 289.98038
• Synonyms: Ethyl 2-(2-iodophenyl)acetate, 864-597-7, 90794-29-9, MFCD00099258, Benzeneacetic acid, 2-iodo-, ethyl ester, Ethyl (2-iodophenyl)acetate, Ethyl2-(2-iodophenyl)acetate, SCHEMBL5132516, DTXSID90562460, AKOS022187054, DS-8648, Ethyl 2-(2-iodophenyl)acetate, 95%, SY121376, DB-141879, CS-0041136, W17295

Application

Ethyl 2-(2-iodophenyl)acetate serves as a versatile intermediate in the synthesis of complex organic molecules. It is commonly employed in palladium-catalyzed cross-coupling reactions to form biaryl structures, which are prevalent in drug discovery. The compound is also used in the preparation of non-steroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. Researchers value its reactivity in constructing heterocyclic frameworks for medicinal chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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