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/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-14/h4-9H,1-3H3
|
| InChIKey |
VSUNUXMFHZNGKX-UHFFFAOYSA-N
|
| SMILES |
CC1=CC(=C(C(=C1)C)N2C=CC=C2)C
|
| Number of Atoms | 29 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 11 |
| XLogP | 2.8 |