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 C6H7N
Molecular Weight 93.13 g/mol
Exact Mass 93.0578 Da
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)N
Number of Atoms 14
Number of H-Bond Acceptors 1
Number of H-Bond Donors 1
Atoms in the Largest π-System 7
XLogP 0.5
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