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/c1-2-7-13(8-3-1)9-6-12-14-10-4-5-11-14/h1-5,7-8,10-11H,6,9,12H2
InChIKey
GOXCLGZMUBXUHA-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)CCCN2C=CC=C2
Number of Atoms 29
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 6
XLogP 3.4
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