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Tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) trifluoromethanesulfonate, min. 98%

Tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) trifluoromethanesulfonate, min. 98%

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Catalog Number

ACM113860029-2

Product Name

Structure

CAS

113860-02-9

Product Overview
Usage

Synonyms

113860-02-9;TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM(II) TRIFLUOROMETHANESULFONATE;MFCD07369036;SC10295;

IUPAC Name

acetonitrile;1,2,3,4,5-pentamethylcyclopentane;ruthenium;trifluoromethanesulfonate;

Molecular Weight

508.522g/mol

Molecular Formula

C17H24F3N3O3RuS-;

Canonical SMILES

CC#N.CC#N.CC#N.C[C]1[C]([C]([C]([C]1C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-].[Ru];

InChI

InChI=1S/C10H15.3C2H3N.CHF3O3S.Ru/c1-6-7(2)9(4)10(5)8(6)3;3*1-2-3;2-1(3,4)8(5,6)7;/h1-5H3;3*1H3;(H,5,6,7);/p-1;

InChI Key

JJKTXFALMRBAHB-UHFFFAOYSA-M;

Complexity

246

Covalently-Bonded Unit Count

Exact Mass

509.053g/mol

Formal Charge

-1

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

509.053g/mol

Topological Polar Surface Area

137A^2

Application

Tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) trifluoromethanesulfonate, with a purity of at least 98%, serves as a versatile catalyst, primarily facilitating the coupling of allenes with activated olefins to produce 1,3-dienes. Additionally, it plays a significant role in the dimerization of propargyl alcohols and the cycloisomerization of 1,6 and 1,7 enynes, making it invaluable in various synthetic organic transformations.

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