4,4-Bis[3,5-Dioxo-1,2-Di(Phenyl)Pyrazolidin-4-Yl]-1,2-Di(Phenyl)Pyrazolidine-3,5-Dione
[CAS# 3812-22-4]

Identification

• Name: 4,4-Bis[3,5-Dioxo-1,2-Di(Phenyl)Pyrazolidin-4-Yl]-1,2-Di(Phenyl)Pyrazolidine-3,5-Dione
• Synonyms: 4,4-Bis[3,5-Dioxo-1,2-Di(Phenyl)-4-Pyrazolidinyl]-1,2-Di(Phenyl)Pyrazolidine-3,5-Dione; 4,4-Bis[3,5-Diketo-1,2-Di(Phenyl)Pyrazolidin-4-Yl]-1,2-Di(Phenyl)Pyrazolidine-3,5-Quinone; (4,4':4',4''-Terpyrazolidine)-3,3',3'',5,5',5''-Hexone, 1,1',1'',2,2',2''-Hexaphenyl-
• Molecular Formula: C₄₅H₃₂N₆O₆
• Molecular Weight: 752.78
• CAS Registry Number: 3812-22-4
• SMILES: C1=CC=C(C=C1)N2N(C(=O)C(C2=O)(C4C(=O)N(C3=CC=CC=C3)N(C4=O)C5=CC=CC=C5)C7C(=O)N(C6=CC=CC=C6)N(C7=O)C8=CC=CC=C8)C9=CC=CC=C9
• InChI: 1S/C45H32N6O6/c52-39-37(40(53)47(32-21-9-2-10-22-32)46(39)31-19-7-1-8-20-31)45(43(56)50(35-27-15-5-16-28-35)51(44(45)57)36-29-17-6-18-30-36)38-41(54)48(33-23-11-3-12-24-33)49(42(38)55)34-25-13-4-14-26-34/h1-30,37-38H
• InChIKey: NAMVGYMNDWZPDQ-UHFFFAOYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)

References

• (1): Cardani C, Scaramuzza A, Mondelli R, Merlini L. Sulle 1,2-difenil-3,5-dichetopirazolidine. Nota V. Sul dipirafene e tripirafene, Gazzetta Chimica Italiana, 1963, 93, 1353-1363
• (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
• (3): 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
• (4): Cardillo G, Merlini L, Boeri E. Sulle 1,2-difenil-3,5-dichetopirazolidine. Nota IX. Prodotti di reazione con NO2. , Gazzetta Chimica Italiana, 1966, 96, 973-985