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 C16H16N2
Molecular Weight 236.31 g/mol
Exact Mass 236.1313 Da
InChI
InChI=1S/C16H16N2/c1-2-9-17(8-1)13-15-6-5-7-16(12-15)14-18-10-3-4-11-18/h1-12H,13-14H2
InChIKey
YHBNWBMXEAZNKT-UHFFFAOYSA-N
SMILES
C1=CN(C=C1)CC2=CC=CC(=C2)CN3C=CC=C3
Number of Atoms 34
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 6
XLogP 2.6
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