(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

Catalog Number

ACM12354846-1

Product Name

(Pentamethylcyclopentadienyl)iridium(III) chloride dimer

Structure

CAS

12354-84-6

Category

Iridium series of catalysts

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

Appearance

Orange yellow powder

Application

Iridium-catalyzed C-3 alkylation of oxindole with alcohols.

Precursor to N-heterocyclic carbene catalyst effective for hydrogenation and alkylation of amines and alcohols.

Precursor to efficient phosphine free catalyst for enantioselective hydrogenation of quinoline derivatives.

Catalyst for oxidative C-H activation.

Precursor to an effective water oxidation catalyst.

Complexity

72.4

Covalently-Bonded Unit Count

8

Defined Atom Stereocenter Count

0

Exact Mass

796.03073

H-Bond Acceptor

6

Heavy Atom Count

26

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

0

Monoisotopic Mass

796.03601

Rotatable Bond Count

0

Topological Polar Surface Area

0 Ų

UNII

6OY4UUC534

MSDS

COA

Spec Sheet