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 C16H13N
Molecular Weight 219.28 g/mol
Exact Mass 219.1048 Da
InChI
InChI=1S/C16H13N/c1-2-6-14(7-3-1)15-8-10-16(11-9-15)17-12-4-5-13-17/h1-13H
InChIKey
HMFRRTAVCKTQMK-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N3C=CC=C3
Number of Atoms 30
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 17
XLogP 3.9
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