Ethyl 6-Methyl-4-(4-Nitrophenyl)-2-Oxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarboxylate
[CAS# 161374-08-9]

Identification

• Name: Ethyl 6-Methyl-4-(4-Nitrophenyl)-2-Oxo-1,2,3,4-Tetrahydro-5-Pyrimidinecarboxylate
• Synonyms: 6-Methyl-4-(4-nitro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester; ethyl 4-methyl-6-(4-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate
• Molecular Formula: C₁₄H₁₅N₃O₅
• Molecular Weight: 305.29
• CAS Registry Number: 161374-08-9
• SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C
• InChI: 1S/C14H15N3O5/c1-3-22-13(18)11-8(2)15-14(19)16-12(11)9-4-6-10(7-5-9)17(20)21/h4-7,12H,3H2,1-2H3,(H2,15,16,19)
• InChIKey: ZWSFKZZEYGSZRO-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 208°C (Expl.)
• Boiling point: 461.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 232.6±28.7°C (Cal.)
• Refractive index: 1.563 (Cal.)

References

• (1): Jain Suman L.. PEG-assisted solvent and catalyst free synthesis of 3,4-dihydropyrimidinones under mild reaction conditions, Green Chemistry, 2007