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Nitro-grela

Catalog Number
ACM502964525-1
Product Name
Nitro-grela
CAS
502964-52-5
  • Product Overview
  • Documentation
  • Usage
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
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
Complexity
954
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Exact Mass
671.125538
H-Bond Acceptor
5
Heavy Atom Count
40
Monoisotopic Mass
671.125538
Rotatable Bond Count
5
Topological Polar Surface Area
61.5 Ų
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.
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