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 | C21H16F3N3O2S |
| Molecular Weight | 431.43 g/mol |
| Exact Mass | 431.0915 Da |
| InChI |
InChI=1S/C21H16F3N3O2S/c1-15-4-6-16(7-5-15)19-14-20(21(22,23)24)25-27(19)17-8-10-18(11-9-17)30(28,29)26-12-2-3-13-26/h2-14H,1H3
|
| InChIKey |
MHXMZTSWPKELMQ-UHFFFAOYSA-N
|
| SMILES |
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N4C=CC=C4)C(F)(F)F
|
| Number of Atoms | 46 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 25 |
| XLogP | 4.0 |
