CAS 14871-41-1 Carbonylchlorobis(triphenylphosphine)iridium(I)

Synonyms

Bis(triphenylphosphine)iridium(I) carbonyl chloride

IUPAC Name

formaldehyde;iridium;triphenylphosphane;chloride;

Molecular Weight

782.3

Molecular Formula

C37H32ClIrOP2

Canonical SMILES

C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Ir]

InChI

InChI=1S/2C18H15P.CH2O.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h2*1-15H;1H2;1H;/p-1

InChI Key

XBRIWYFLOPNYFT-UHFFFAOYSA-M

Melting Point

215 °C

Purity

99%

Appearance

Crystal

Complexity

204

Covalently-Bonded Unit Count

EC Number

238-941-6

Exact Mass

782.12462

Formal Charge

-1

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

782.12462

Rotatable Bond Count

Topological Polar Surface Area

17.1 Å²

Application

Carbonylchlorobis(triphenylphosphine)iridium(I) serves as a vital component and intermediary in the realm of organic synthesis, pharmaceuticals, agrochemicals, and dyestuffs. It acts as a catalyst for a range of chemical reactions, including the intramolecular carbonylative [2+2+1] cycloaddition of allenynes and the selective hydrogenation of myrcene. This compound also facilitates the silylation of ortho-functionalized aryl halides with hydrosilanes and the production of aldenamines from carboxamides through silane-reduction and dehydration under mild conditions. Furthermore, it acts as a hydrogen atom transfer catalyst in radical cyclizations, a complex in photocatalytic alkane dehydrogenation, and a catalyst for the chemoselective reductive nucleophilic addition to N-methoxyamides and the chemoselective reductive alkynylation of tertiary amides.

March 17, 2025

Reliable Catalyst for Versatile Reactions

Carbonylchlorobis(triphenylphosphine)iridium(I) has been invaluable in our lab for diverse applications, notably in cycloadditions and photocatalytic dehydrogenations, showcasing excellent reactivity and reliability in various synthesis processes.