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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.
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