417394
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione
98%
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About This Item
Linear Formula:
HOC6H4COCH2COC6H5
CAS Number:
Molecular Weight:
240.25
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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
SMILES string
Oc1ccccc1C(=O)CC(=O)c2ccccc2
InChI key
OABFIJGAEVKMJP-UHFFFAOYSA-N
assay
98%
mp
120-122 °C (lit.)
functional group
ketone, phenyl
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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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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