Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate

Catalog Number
ACM80049612
Product Name
Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate
Structure
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CAS
80049-61-2
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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
Purity
98%
Appearance
yellow to orange powder
Storage
Refrigerator (+4°C)
Complexity
130
Covalently-Bonded Unit Count
6
Defined Atom Stereocenter Count
0
Exact Mass
434.987294
Heavy Atom Count
22
MDL Number
MFCD02684569
Monoisotopic Mass
434.987294
Rotatable Bond Count
0
Symbol
GHS07
Topological Polar Surface Area
71.4 Ų
Application
Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate is a versatile catalyst, typically appearing as a yellow to orange or brown powder, utilized in various organic reactions. It facilitates the coupling of diynes with aldehydes and N,N-dimethylformamide, and catalyzes the formation of 1,3-dienes by coupling allenes with activated olefins. Additionally, it promotes the dimerization of propargyl alcohols and plays a key role in Trost's ruthenium-catalyzed ene-yne cross-coupling reactions. This catalyst is also instrumental in asymmetric cyclization of ω-hydroxy allyl alcohols to yield α-alkenyl cyclic ethers, and aids in synthesizing furans from bis(alkynes) and DMSO, highlighting its broad applicability in synthetic chemistry.
April 8, 2025

Exceptional Catalyst for Complex Organic Reactions

Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate, with its vibrant hue, significantly enhanced our research. It efficiently facilitated the Trost's ene-yne cross-coupling. An invaluable tool for advancing organic synthesis projects.

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