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 | C12H11NO |
| Molecular Weight | 185.22 g/mol |
| Exact Mass | 185.0841 Da |
| InChI |
InChI=1S/C12H11NO/c1-10(14)11-6-2-3-7-12(11)13-8-4-5-9-13/h2-9H,1H3
|
| InChIKey |
UVPYESAHWAGOOL-UHFFFAOYSA-N
|
| SMILES |
CC(=O)C1=C(C=CC=C1)N2C=CC=C2
|
| Number of Atoms | 25 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 13 |
| XLogP | 1.8 |