Description

Ethyl 2-oxo-2-(pyridin-3-yl)acetate (CAS No. 73672-37-4) is a high-purity organic compound with the molecular formula C₉H₉NO₃. This ester derivative features a pyridine ring linked to an oxoacetate group, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its IUPAC name, ethyl 2-oxo-2-pyridin-3-ylacetate, reflects its precise chemical structure. With a molecular weight of 179.17 g/mol, this compound is supplied as a clear to pale-yellow liquid or solid, depending on storage conditions. It is ideal for researchers seeking a versatile building block for heterocyclic chemistry, cross-coupling reactions, or ligand design. Store in a cool, dry place under inert atmosphere to ensure stability.

Properties

• CAS Number: 73672-37-4
• Complexity: 203
• IUPAC Name: ethyl 2-oxo-2-(3-pyridyl)acetate
• InChI: InChI=1S/C9H9NO3/c1-2-13-9(12)8(11)7-4-3-5-10-6-7/h3-6H,2H2,1H3
• InChI Key: KVEJGPKUSPYFIE-UHFFFAOYSA-N
• Exact Mass: 179.058243149
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.17
• SMILES: CCOC(=O)C(=O)C1=CN=CC=C1
• Topological: 56.3
• Monoisotopic Mass: 179.058243149
• Synonyms: ETHYL 2-OXO-2-(PYRIDIN-3-YL)ACETATE, 848-298-9, 73672-37-4, ethyl 2-oxo-2-pyridin-3-ylacetate, MFCD09842445, 3-PYRIDINEACETIC ACID, A-OXO, ETHYL ESTER, ethyl 2-oxo-2-(3-pyridyl)acetate, ethyl 3-pyridylglyoxylate, ethyl 3-pyridineglyoxylate, SCHEMBL3218011, Ethyl oxo(pyridin-3-yl)acetate, DTXSID20500097, KVEJGPKUSPYFIE-UHFFFAOYSA-N, AKOS006310137, SB13717, DS-13436, Oxo-pyridin-3-yl-acetic acid ethyl ester, SY104944, ETHYL2-OXO-2-(PYRIDIN-3-YL)ACETATE, EN300-202639

Application

Ethyl 2-oxo-2-(pyridin-3-yl)acetate is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for developing kinase inhibitors and antimicrobial agents. Its reactive ketoester group enables facile condensation reactions for constructing complex heterocycles. Researchers also employ it in metal-catalyzed cross-coupling methodologies to access functionalized pyridine derivatives. Additionally, it serves as a precursor for ligands in coordination chemistry and catalysis.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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