Ethyl 4,6-Dioxo-5-Phenyl-1,3A,4,5,6,6alpha-Hexahydropyrrolo[3,4-c]Pyrazole-3-Carboxylate
[CAS# 2997-63-9]

Identification

• Name: Ethyl 4,6-Dioxo-5-Phenyl-1,3A,4,5,6,6alpha-Hexahydropyrrolo[3,4-c]Pyrazole-3-Carboxylate
• Synonyms: (3As,6Ar)-4,6-Dioxo-5-Phenyl-3A,6A-Dihydro-1H-Pyrrolo[3,4-D]Pyrazole-3-Carboxylic Acid Ethyl Ester; (3As,6Ar)-4,6-Diketo-5-Phenyl-3A,6A-Dihydro-1H-Pyrrolo[3,4-D]Pyrazole-3-Carboxylic Acid Ethyl Ester; Zinc00041355
• Molecular Formula: C₁₄H₁₃N₃O₄
• Molecular Weight: 287.27
• CAS Registry Number: 2997-63-9
• SMILES: [C@H]12[C@@H](NN=C1C(OCC)=O)C(=O)N(C2=O)C3=CC=CC=C3
• InChI: 1S/C14H13N3O4/c1-2-21-14(20)11-9-10(15-16-11)13(19)17(12(9)18)8-6-4-3-5-7-8/h3-7,9-10,15H,2H2,1H3/t9-,10+/m0/s1
• InChIKey: CHJPNVLGYGRHOY-VHSXEESVSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 533.213°C at 760 mmHg (Cal.)
• Flash point: 276.277°C (Cal.)