1-[4-(2-Methyl-2-propanyl)phenyl]-2-(4-pyrimidinyl)ethanone
[CAS# 849021-29-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Phenylpyrimidine
• Name: 1-[4-(2-Methyl-2-propanyl)phenyl]-2-(4-pyrimidinyl)ethanone
• Synonyms: 1-(4-(tert-butyl)phenyl)-2-(pyrimidin-4-yl)ethanone; 1-(4-tert-Butylphenyl)-2-pyrimidin-4-yl ethanone; 1-(4-tert-Butylphenyl)-2-pyrimidin-4-ylethanone
• Molecular Formula: C₁₆H₁₈N₂O
• Molecular Weight: 254.33
• CAS Registry Number: 849021-29-0
• SMILES: O=C(c1ccc(cc1)C(C)(C)C)Cc2ncncc2
• InChI: 1S/C16H18N2O/c1-16(2,3)13-6-4-12(5-7-13)15(19)10-14-8-9-17-11-18-14/h4-9,11H,10H2,1-3H3
• InChIKey: TWXXUUNPFFILBC-UHFFFAOYSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 404.316°C at 760 mmHg (Cal.)
• Flash point: 200.581°C (Cal.)
• Refractive index: 1.555 (Cal.)