Diethyl [[[3-(4,7-Dihydro-7-Oxo-1H-1,2,3-Triazolo[4,5-d]Pyrimidin-5-Yl)-4-Propoxyphenyl]Amino]Methylene]Malonate
[CAS# 66975-54-0]

Identification

• Name: Diethyl [[[3-(4,7-Dihydro-7-Oxo-1H-1,2,3-Triazolo[4,5-d]Pyrimidin-5-Yl)-4-Propoxyphenyl]Amino]Methylene]Malonate
• Synonyms: Diethyl 2-[[[3-(7-Oxo-2,3-Dihydrotriazolo[5,4-D]Pyrimidin-5-Yl)-4-Propoxy-Phenyl]Amino]Methylene]Propanedioate; 2-[[[3-(7-Oxo-2,3-Dihydrotriazolo[5,4-D]Pyrimidin-5-Yl)-4-Propoxyphenyl]Amino]Methylene]Propanedioic Acid Diethyl Ester; 2-[[[3-(7-Keto-2,3-Dihydrotriazolo[5,4-D]Pyrimidin-5-Yl)-4-Propoxy-Phenyl]Amino]Methylene]Malonic Acid Diethyl Ester
• Molecular Formula: C₂₁H₂₄N₆O₆
• Molecular Weight: 456.46
• CAS Registry Number: 66975-54-0
• EINECS: 266-530-1
• SMILES: C1=C(NC=C(C(OCC)=O)C(OCC)=O)C=CC(=C1C3=NC(=O)C2=NNNC2=N3)OCCC
• InChI: 1S/C21H24N6O6/c1-4-9-33-15-8-7-12(22-11-14(20(29)31-5-2)21(30)32-6-3)10-13(15)17-23-18-16(19(28)24-17)25-27-26-18/h7-8,10-11,22H,4-6,9H2,1-3H3,(H2,23,24,25,26,27,28)
• InChIKey: ITGFXWLYTIYANG-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 557.265°C at 760 mmHg (Cal.)
• Flash point: 290.823°C (Cal.)