Ethyl 4-Oxo-4-(2-Pyridinyl)Butanoate
[CAS# 26749-23-5]

Identification

• Name: Ethyl 4-Oxo-4-(2-Pyridinyl)Butanoate
• Synonyms: 4-OXO-4-PYRIDIN-2-YL-BUTYRIC ACID ETHYL ESTER; 4-OXO-4-PYRIDIN-2-YL-BUTYRICACIDETHYLESTER; Ethyl 4-oxo-4-(2-pyridyl)butyrate
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.23
• CAS Registry Number: 26749-23-5
• SMILES: O=C(c1ncccc1)CCC(=O)OCC
• InChI: 1S/C11H13NO3/c1-2-15-11(14)7-6-10(13)9-5-3-4-8-12-9/h3-5,8H,2,6-7H2,1H3
• InChIKey: XCERJELJQXCHPA-UHFFFAOYSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 332.06°C at 760 mmHg (Cal.)
• Flash point: 154.625°C (Cal.)
• Refractive index: 1.507 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE

References

• (1): Mercedes Amat, Carlos Arróniz, Elies Molins, Carmen Escolano and Joan Bosch. Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids), Org. Biomol. Chem., 2011, 9, 2175.