CAS 12354-84-6 (Pentamethylcyclopentadienyl)iridium(III) chloride dimer

Synonyms

Dichloro(pentamethylcyclopentadienyl)iridium(III)dimer

IUPAC Name

iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tetrachloride;

Molecular Weight

796.7

Molecular Formula

C20H30Cl4Ir2

Canonical SMILES

C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3]

InChI

InChI=1S/2C10H15.4ClH.2Ir/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;4*1H;/q2*-1;2*+3/p-4

InChI Key

MMAGMBCAIFVRGJ-UHFFFAOYSA-J

Melting Point

245 °C

Purity

99%

Appearance

Orange yellow powder

Complexity

72.4

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

796.03073

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

796.03601

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

UNII

6OY4UUC534

Application

(Pentamethylcyclopentadienyl)iridium(III) chloride dimer serves as a versatile and efficient precursor in a variety of catalytic applications, notably enhancing chemical transformations with its unique properties. This orange fine crystalline powder is primarily utilized as a precursor to catalysts in the asymmetric transfer hydrogenation of ketones and for greener amine synthesis. Moreover, it plays a key role in the iridium-catalyzed C-3 alkylation of oxindole with alcohols, and as a precursor to N-heterocyclic carbene catalysts effective for the hydrogenation and alkylation of amines and alcohols. It is also instrumental in the development of phosphine-free catalysts for the enantioselective hydrogenation of quinoline derivatives, and acts as a catalyst for oxidative C-H activation. In addition, it serves as a precursor to an effective water oxidation catalyst, enhancing catalytic efficiency across these diverse processes.

March 20, 2025

Highly Efficient Catalyst for Ketone Hydrogenation and More

The orange fine crystalline powder, (Pentamethylcyclopentadienyl)iridium(III) chloride dimer, proved instrumental in my research, enhancing catalytic efficiency for greener amine synthesis and C-3 alkylation, delivering remarkable results with ease.