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 C12H16N2
Molecular Weight 188.27 g/mol
Exact Mass 188.1313 Da
InChI
InChI=1S/C12H16N2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-4,7-10H,5-6,11-12H2
InChIKey
CSWNUEZMHKKMTI-UHFFFAOYSA-N
SMILES
C1=CN(C=C1)CCCCN2C=CC=C2
Number of Atoms 30
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 5
XLogP 2.8
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