CAS 132603-41-9

3H-Pyrazol-3-one, 4-(1,3-benzodioxol-5-ylmethylene)-2,4-dihydro-5-methyl-2-phenyl-, (Z)-

Description:

3H-Pyrazol-3-one, 4-(1,3-benzodioxol-5-ylmethylene)-2,4-dihydro-5-methyl-2-phenyl-, (Z)-, with CAS number 132603-41-9, is a chemical compound characterized by its complex structure, which includes a pyrazolone core and a benzodioxole moiety. This compound typically exhibits a Z-configuration, indicating that specific substituents are oriented on the same side of the double bond, which can influence its reactivity and interactions. The presence of the benzodioxole group suggests potential applications in medicinal chemistry, as this structural feature is often associated with biological activity. The compound may also display properties such as solubility in organic solvents and stability under certain conditions, making it suitable for various synthetic applications. Its unique combination of functional groups may contribute to its potential as a ligand or in the development of pharmaceuticals. However, detailed studies would be necessary to fully elucidate its physical and chemical properties, as well as its biological activities.

Formula: C₁₈H₁₄N₂O₃

InChI: InChI=1S/C18H14N2O3/c1-12-15(9-13-7-8-16-17(10-13)23-11-22-16)18(21)20(19-12)14-5-3-2-4-6-14/h2-10H,11H2,1H3/b15-9-

InChI key: InChIKey=RPCALRBJAYDENZ-DHDCSXOGSA-N

SMILES: O=C/1N(N=C(C)\C1=C\C=2C=C3C(=CC2)OCO3)C4=CC=CC=C4

Synonyms:

• 3H-Pyrazol-3-one, 4-(1,3-benzodioxol-5-ylmethylene)-2,4-dihydro-5-methyl-2-phenyl-, (Z)-

4-(benzo[3,4-d]1,3-dioxolen-5-ylmethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one

CAS: 132603-41-9

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Formula: C₁₈H₁₄N₂O₃

Purity: Min. 95%

Molecular weight: 306.3 g/mol

Ref: 3D-HFA60341