| Catalog Number |
ACM502964525-1 |
| CAS |
502964-52-5 |
| Synonyms |
[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[(2-isopropoxy-5-nitrobenzylidene)]ruthenium(II) |
| IUPAC Name |
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium; |
| Molecular Weight |
671.63 |
| Molecular Formula |
C31H37Cl2N3O3Ru |
| Canonical SMILES |
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=C(C=CC(=C3)[N+](=O)[O-])OC(C)C)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C |
| InChI |
InChI=1S/C21H26N2.C10H11NO3.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;/h9-12H,7-8H2,1-6H3;3-7H,1-2H3;2*1H;/q;+2/p-2 |
| InChI Key |
RQQSRSPQJIAORC-UHFFFAOYSA-L |
| Melting Point |
>300 °C |
| Purity |
97%+ |
| Appearance |
Green to dark green powder to crystal |
| Application |
This catalyst is used for an efficient synthesis of HCV Protease Inhibitor, BILN 2061.
The nitro-Grela catalyst is a stable olefin metathesis initiator active in various ring-closing, cross, and enyne metathesis reactions. Its efficiency has been proven in numerous total syntheses of natural and biologically active compounds, and in material science. |
| Complexity |
954 |
| Covalently-Bonded Unit Count |
1 |
| Defined Atom Stereocenter Count |
0 |
| Exact Mass |
671.125538 |
| Heavy Atom Count |
40 |
| Hydrogen Bond Acceptor Count |
5 |
| Hydrogen Bond Donor Count |
0 |
| Monoisotopic Mass |
671.125538 |
| Rotatable Bond Count |
5 |
| Topological Polar Surface Area |
61.5 Ų |
