CAS 502964-52-5 Nitro-grela - Materials / Alfa Chemistry

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Nitro-grela

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Catalog Number

ACM502964525-1

Product Name

Nitro-grela

CAS

502964-52-5

Category

Polymerization Catalysts

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

Defined Atom Stereocenter Count

Exact Mass

671.125538

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

671.125538

Rotatable Bond Count