4-[(Dimethylamino)Methyl]-1,2-Diphenyl-3,5-Pyrazolidinedione
[CAS# 6136-32-9]

Identification

• Name: 4-[(Dimethylamino)Methyl]-1,2-Diphenyl-3,5-Pyrazolidinedione
• Synonyms: 4-[(dimethylamino)methyl]-1,2-diphenyl-3,5-pyrazolidinedione; BIM-0005033.P001
• Molecular Formula: C₁₈H₁₉N₃O₂
• Molecular Weight: 309.36
• CAS Registry Number: 6136-32-9
• SMILES: O=C2N(c1ccccc1)N(C(=O)C2CN(C)C)c3ccccc3
• InChI: 1S/C18H19N3O2/c1-19(2)13-16-17(22)20(14-9-5-3-6-10-14)21(18(16)23)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
• InChIKey: UQEQVTLRDGYRKQ-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 422.116°C at 760 mmHg (Cal.)
• Flash point: 174.122°C (Cal.)

References

• (1): 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
• (2): 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