(3E)-3-Benzylidene-2,3-Dihydro-4H-Chromen-4-One
[CAS# 30779-90-9]

Identification

• Name: (3E)-3-Benzylidene-2,3-Dihydro-4H-Chromen-4-One
• Synonyms: (3E)-3-(phenylmethylidene)-3,4-dihydro-2H-1-benzopyran-4-one; (3E)-3-Benzyliden-2,3-dihydro-4H-chromen-4-on; (3E)-3-benzylidene-2,3-dihydro-4H-chromen-4-one
• Molecular Formula: C₁₆H₁₂O₂
• Molecular Weight: 236.27
• CAS Registry Number: 30779-90-9
• SMILES: C1/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3O1
• InChI: 1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-10H,11H2/b13-10+
• InChIKey: TXRPREROCFYGHX-JLHYYAGUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 114-116°C (Expl.)
• Boiling point: 413.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 195.6±22.3°C (Cal.)

References

• (1): Tang-Lin Liu, Zhao-Lin He and Chun-Jiang Wang. Highly efficient construction of spirocyclic chromanone–pyrrolidines via Cu(i)/TF–BiphamPhos-catalyzed asymmetric 1,3-dipolar cycloaddition, Chem. Commun., 2011, 47, 9600.