417394
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione
98%
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Linear Formula:
HOC6H4COCH2COC6H5
CAS Number:
Molecular Weight:
240.25
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
mp
120-122 °C (lit.)
SMILES string
Oc1ccccc1C(=O)CC(=O)c2ccccc2
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
InChI key
OABFIJGAEVKMJP-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Abnormal base catalysed reaction of formaldehyde and benzaldehydes with 1-(2-hydroxyphenyl)-3-phenyl-1, 3-propanedione.
Joglekar SJ and Samant SD.
Tetrahedron Letters, 29(2), 241-244 (1988)
Crystal structures of 1-(2-hydroxyphenyl)-3-phenyl-1, 3-propanedione and 1-(1, 3-benzodioxol-5-yl)-3-(2, 4-dimethoxyphenyl)-1, 3-propanedione.
Ng SW, et al.
Journal of Chemical Crystallography, 24(5), 331-335 (1994)
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