1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE Chemical Properties

Melting point:

120-122 °C (lit.)

Boiling point:

421.0±25.0 °C(Predicted)

Density 

1.230±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

pka

7.80±0.30(Predicted)

InChI

1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2

InChIKey

OABFIJGAEVKMJP-UHFFFAOYSA-N

SMILES

Oc1ccccc1C(=O)CC(=O)c2ccccc2

CAS DataBase Reference

1469-94-9(CAS DataBase Reference)

EPA Substance Registry System

1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl- (1469-94-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

TSCA 

TSCA listed

HS Code 

29145090

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE Usage And Synthesis

Chemical Properties

yellow crystalline powder

Uses

1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione is a chalcone. It has been isolated from the stem bark of Millettia ovalifolia and the root bark of Pongamia pinnata. It can be prepared by the benzoylation of ortho-hydroxyacetophenone in pyridine. It has been reported to crystallize in the triclinic space group. It exists in two enolic tautomeric forms in which the hydroxyl and phenolic protons are linked to the ketonic oxygen atom via hydrogen bonds. It forms (1:1) inclusion compounds by reacting with formaldehyde in the presence of various 1-arylpiperazines.

Definition

ChEBI: 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione is a member of dihydrochalcones.

Synthesis Reference(s)

Synthesis, p. 839, 1992 DOI: 10.1055/s-1992-26241

General Description

1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione is a chalcone. It has been isolated from the stem bark of Millettia ovalifolia and the root bark of Pongamia pinnata. It can be prepared by the benzoylation of ortho-hydroxyacetophenone in pyridine. It has been reported to crystallize in the triclinic space group. It exists in two enolic tautomeric forms in which the hydroxyl and phenolic protons are linked to the ketonic oxygen atom via hydrogen bonds. It forms (1:1) inclusion compounds by reacting with formaldehyde in the presence of various 1-arylpiperazines.

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