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 | C16H16N2O2 |
| Molecular Weight | 268.31 g/mol |
| Exact Mass | 268.1212 Da |
| InChI |
InChI=1S/C16H16N2O2/c1-2-20-16(19)11-15(18-9-3-4-10-18)14-7-5-13(12-17)6-8-14/h3-10,15H,2,11H2,1H3
|
| InChIKey |
CQUABOAVBPCCCS-UHFFFAOYSA-N
|
| SMILES |
CCOC(=O)CC(C1=CC=C(C=C1)C#N)N2C=CC=C2
|
| Number of Atoms | 36 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 8 |
| XLogP | 1.6 |