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 C8H7N3
Molecular Weight 145.16 g/mol
Exact Mass 145.0640 Da
InChI
InChI=1S/C8H7N3/c1-2-7-11(6-1)8-9-4-3-5-10-8/h1-7H
InChIKey
MPAYSRXXGJTDIM-UHFFFAOYSA-N
SMILES
C1=CN(C=C1)C2=NC=CC=N2
Number of Atoms 18
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 11
XLogP 0.3
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