337455

(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate

97%

• Synonym(s): [Ir(PMePh₂)₂COD]⁺ PF₆^-, [Ir(cod)(PPh₂Me)₂]PF₆, {Ir(COD)[PCH₃(C₆H₅)₂]₂}PF₆
• Empirical Formula (Hill Notation): C₃₄H₃₈F₆IrP₃
• CAS Number: 38465-86-0
• Molecular Weight: 845.79
• MDL number: MFCD00064800
• UNSPSC Code: 12161600
• PubChem Substance ID: 24860482
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• reaction suitability: core: iridium; reagent type: catalyst
• mp: 224 °C (dec.) (lit.)
• SMILES string: [Ir+].F[P-](F)(F)(F)(F)F.C1CC=CCCC=C1.CP(c2ccccc2)c3ccccc3.CP(c4ccccc4)c5ccccc5
• InChI: 1S/2C13H13P.C8H12.F6P.Ir/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*2-11H,1H3;1-2,7-8H,3-6H2;;/q;;;-1;+1/b;;2-1-,8-7-;;
• InChI key: LXKHQEQLBSJJCO-JXNOXZOESA-N

Description

Application

(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate is an air-stable cationic iridium complex, generally employed in allyl isomerization reactions.[1] Upon bubbling hydrogen into the solution of [Ir(cod)(PPh₂Me)₂]PF₆, preferably in tetrahydrofuran[2], results in the formation of active catalyst [IrH₂(solv)₂(PPh₂Me)₂]PF₆ which can be used in the isomerization of 3-(silyloxy)-1-propenylboronates to (γ-(silyloxy)allyl)boronic esters[3]; diallyl ethers to allyl (E)-vinyl ethers[2] and 1-alkenylboronates to corresponding 3-alkoxyallylboronates.[4]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves