Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate

Catalog Number	ACM80049612-1
CAS	80049-61-2
Structure
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
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
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
Topological Polar Surface Area	71.4 Ų