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 | C17H13N |
| Molecular Weight | 231.29 g/mol |
| Exact Mass | 231.1048 Da |
| InChI |
InChI=1S/C17H13N/c1-2-6-16-13(5-1)11-14-12-15(7-8-17(14)16)18-9-3-4-10-18/h1-10,12H,11H2
|
| InChIKey |
WKZRXZHPAFCKFV-UHFFFAOYSA-N
|
| SMILES |
C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N4C=CC=C4
|
| Number of Atoms | 31 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 17 |
| XLogP | 3.7 |