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Carbonylhydridotris(triphenylphosphine)iridium(I)
PRICE INQUIRYCatalog Number
ACM17250258
Product Name
Carbonylhydridotris(triphenylphosphine)iridium(I)
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/17250-25-8.gif)
CAS
17250-25-8
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
5
EC Number
241-282-7
Exact Mass
1007.23125
H-Bond Acceptor
1
Heavy Atom Count
60
Monoisotopic Mass
1007.23125
Rotatable Bond Count
9
Topological Polar Surface Area
1 Ų
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.
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