1-Hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-mu-hydrotetracarbonyldiruthenium(II)

Catalog Number	ACM104439772-1
CAS	104439-77-2
Structure
Synonyms	Shvo's catalyst
Molecular Weight	1084.1
Molecular Formula	C62H41O6Ru2
Canonical SMILES	[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5.[Ru].[Ru]
InChI	InChI=1S/C29H21O.C29H20O.4CO.2Ru/c2*30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;4*1-2;/h1-20,30H;1-20H;
InChI Key	LYADOKFHMFDLJK-UHFFFAOYSA-N
Melting Point	223-227 °C
Purity	98%
Appearance	Powder
Application	In conjugation with lipase, ruthenium catalyst used in the asymmetric transformation of ketones and enol acetates into chiral acetates. Dynamic kinetic resolution resulting from the ruthenium catalyzed racemization of enzymatically- resolved substrates. Conversion of secondary amines to primary amines in the presence of ammonia. Co-catalyt for aerobic lactonization of diols.
Exact Mass	1087.10008
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Monoisotopic Mass	1085.098995
Rotatable Bond Count	8
Topological Polar Surface Area	41.3 Ų