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(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

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Catalog Number

ACM12354846

Product Name

Structure

CAS

12354-84-6

Product Overview
Usage

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.

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CAS
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12354-84-6
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99%
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