1-(2,4-Dihydroxyphenyl)-2-(4-Methoxyphenyl)-1-Propanone
[CAS# 642-39-7]

Identification

• Name: 1-(2,4-Dihydroxyphenyl)-2-(4-Methoxyphenyl)-1-Propanone
• Synonyms: (2R)-1-(2,4-DIHYDROXYPHENYL)-2-(4-METHOXYPHENYL)PROPAN-1-ONE; Angolensin; InChI=1/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3
• Molecular Formula: C₁₆H₁₆O₄
• Molecular Weight: 272.30
• CAS Registry Number: 642-39-7
• SMILES: CC(C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)O)O
• InChI: 1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3
• InChIKey: CCOJFDRSZSSKOG-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 464.9±24.0°C at 760 mmHg (Cal.)
• Flash point: 173.3±16.4°C (Cal.)

References

• (1): Kristiina Wähälä, Tuija Jokela, Auli Salakka, Seppo Kaltia and Markku Mesilaakso. Regioselectivity of methylation of O-demethylangolensin [1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one]. An expedient synthesis of angolensin, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 642.