CAS 17250-25-8 Carbonylhydridotris(triphenylphosphine)iridium(I)

Synonyms

Carbon monoxide;iridium;triphenylphosphane

IUPAC Name

carbon monoxide;iridium;triphenylphosphane;

Molecular Weight

1007.1

Molecular Formula

C55H45IrOP3

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

InChI

InChI=1S/3C18H15P.CO.Ir/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;

InChI Key

OWVGPTPQWABNND-UHFFFAOYSA-N

Melting Point

170 °C

Purity

99%

Appearance

Powder

Complexity

212

Covalently-Bonded Unit Count

EC Number

241-282-7

Exact Mass

1007.23125

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

1007.23125

Rotatable Bond Count

Topological Polar Surface Area

1 Å²

Application

Carbonylhydridotris(triphenylphosphine)iridium(I), a pale yellow powder (CAS# 17250-25-8), serves as a versatile reagent with several catalytic applications. It is employed in the cleavage of Si-C bonds and plays a crucial role as a catalyst in the C-S cross-coupling of aryl fluorides with diaryl disulfides, leading to the synthesis of thioethers. Additionally, it facilitates the ring-opening isomerization of unsymmetrically substituted methylenecyclopropanes into 1,3-dienes. It is also utilized as a catalyst for the asymmetric transfer hydrogenation of aromatic ketones under base-free conditions and is effective in C-F bond activation for synthesizing thioethers through C-S cross-coupling.

April 23, 2025

Excellent Catalyst for C-S Cross-Coupling

Using Alfa Chemistry's Carbonylhydridotris(triphenylphosphine)iridium(I) in our lab has been seamless. It's exceptional for C-S cross-coupling, aiding thioether synthesis efficiently. Pale yellow powder, easy to work with and highly effective.