Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller
Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C6H10O3
Molecular Weight 130.14 g/mol
Exact Mass 130.0630 Da
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C
Number of Atoms 19
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 3
XLogP 0.7
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