Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar
Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C16H16N2O2
Molecular Weight 268.31 g/mol
Exact Mass 268.1212 Da
InChI
InChI=1S/C16H16N2O2/c1-2-20-16(19)11-15(18-9-3-4-10-18)14-7-5-13(12-17)6-8-14/h3-10,15H,2,11H2,1H3
InChIKey
CQUABOAVBPCCCS-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(C1=CC=C(C=C1)C#N)N2C=CC=C2
Number of Atoms 36
Number of H-Bond Acceptors 4
Number of H-Bond Donors 0
Atoms in the Largest π-System 8
XLogP 1.6
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