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 | C27H35N6O8P |
| Molecular Weight | 602.58 g/mol |
| Exact Mass | 602.2254 Da |
| InChI |
InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21?,23+,24+,27-,42?/m0/s1
|
| InChIKey |
RWWYLEGWBNMMLJ-FPJXBEHESA-N
|
| SMILES |
CCC(CC)COC(=O)[C@H](C)NP(=O)(OCC1[C@H]([C@H]([C@](C#N)(C2=CC=C3C(=NC=NN32)N)O1)O)O)OC4=CC=CC=C4
|
| Number of Atoms | 77 |
| Number of H-Bond Acceptors | 14 |
| Number of H-Bond Donors | 4 |
| Atoms in the Largest π-System | 11 |
| XLogP | 0.3 |
