Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate

Catalog Number

ACM80049612-1

Product Name

Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate

Structure

CAS

80049-61-2

Category

Ruthenium series catalysts

Synonyms

(Cyclopentadienyltris(acetonitrile)ruthenium hexafluorophosphate

Molecular Weight

434.3

Molecular Formula

C11H14F6N3PRu

Canonical SMILES

CC#N.CC#N.CC#N.C1=C[CH]C=C1.F[P-](F)(F)(F)(F)F.[Ru+]

InChI

InChI=1S/C5H5.3C2H3N.F6P.Ru/c1-2-4-5-3-1;3*1-2-3;1-7(2,3,4,5)6;/h1-5H;3*1H3;/q;-1;+1

InChI Key

HJQVFVSAQOQXRG-UHFFFAOYSA-N

Appearance

yellow to orange powder

Application

Catalyst used for the coupling of allene with activated olefines to form 1,3-diene.

Catalyst used for the dimerization of propargyl alcohols.

Catalyst used in the Trost's ruthenium-catalyzed ene-yne cross-coupling reaction.

Catalyst for asymmetric cyclization of ω-hydroxy allyl alcohols to give α-alkenyl cyclic ethers.

Catalyst for synthesis of furans from bis(alkynes) and DMSO.

Storage

Refrigerator (+4°C)

Complexity

130

Covalently-Bonded Unit Count

6

Defined Atom Stereocenter Count

0

Exact Mass

434.987294

Hazard Statements

H315-H319-H335

Heavy Atom Count

22

Hydrogen Bond Acceptor Count

10

Hydrogen Bond Donor Count

0

MDL Number

MFCD02684569

Monoisotopic Mass

434.987294

Rotatable Bond Count

0

Safety Description

Warning

Symbol

GHS07

Topological Polar Surface Area

71.4 Ų

MSDS

COA

Spec Sheet