Diethyl (3,5-Dioxo-1,2-Diphenyl-4-Pyrazolidinyl)Malonate
[CAS# 6139-70-4]

Identification

• Name: Diethyl (3,5-Dioxo-1,2-Diphenyl-4-Pyrazolidinyl)Malonate
• Synonyms: Diethyl 2-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)malonate #
• Molecular Formula: C₂₂H₂₂N₂O₆
• Molecular Weight: 410.42
• CAS Registry Number: 6139-70-4
• SMILES: O=C(OCC)C(C(=O)OCC)C2C(=O)N(c1ccccc1)N(C2=O)c3ccccc3
• InChI: 1S/C22H22N2O6/c1-3-29-21(27)18(22(28)30-4-2)17-19(25)23(15-11-7-5-8-12-15)24(20(17)26)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
• InChIKey: XEMGYZYJAUYWMF-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 508.146°C at 760 mmHg (Cal.)
• Flash point: 261.118°C (Cal.)

References

• (1): Selva A, Citterio A, Merlini L. Mass Spectrometry of Heterocyclic compounds. VIII. Electron-impact-induced fragmentation of 1,2-diphenyl-pyrazolidine-3,5-dione and some 4-substituted derivatives, Organic Mass Spectrometry 1975, 10, 606-616
• (2): Mondelli R, Merlini L. Sulla 1,2-difenil-3,5-dichetopirazolidina. Nota VIII. Tautomeria e spettri di risonanza magnetica nucleare di alcuni derivati., Gazzetta Chimica Italiana, 1965, 95, 1371-1377