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 C13H15N
Molecular Weight 185.27 g/mol
Exact Mass 185.1205 Da
InChI
InChI=1S/C13H15N/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4-9H,1-3H3
InChIKey
VSUNUXMFHZNGKX-UHFFFAOYSA-N
SMILES
CC1=CC(=C(C(=C1)C)N2C=CC=C2)C
Number of Atoms 29
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 11
XLogP 2.8
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