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3155-51-9

3155-51-9 Structure

3155-51-9 Structure
IdentificationBack Directory
[Name]

7,8-dihydro-5,6-dehydrokawain
[CAS]

3155-51-9
[Synonyms]

7,8-dihydro-5,6-dehydrokawain
5,6-Dehydro 7,8-dihydrokavain
4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one
2H-Pyran-2-one, 4-methoxy-6-(2-phenylethyl)-
[Molecular Formula]

C14H14O3
[MDL Number]

MFCD29039595
[MOL File]

3155-51-9.mol
[Molecular Weight]

230.26
Chemical PropertiesBack Directory
[Melting point ]

98.5 °C
[Boiling point ]

415.2±45.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

Amber Vial, Refrigerator, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Pale Beige to Light Beige
[Stability:]

Light Sensitive
[InChI]

1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
[InChIKey]

OVXOWIKMOIVICB-UHFFFAOYSA-N
[SMILES]

[o]1[c](cc(cc1CCc2ccccc2)OC)=O
[LogP]

2.470 (est)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one is a Kawain (K145490) derivative that is known to exhibit antimalarial and antituberculosis activities. 4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one has been identified as a lead compound for the dual treatment of malaria and leishmaniasis.
[Definition]

ChEBI: Dihydro-5,6-dehydrokawain is an aromatic ether and a member of 2-pyranones.
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