1083010-90-5

Upstream product

• 1370356-92-5 trans-Ir(C₆H₃F₂)FH(P(CH(CH₃)2)3)2 
• 789-25-3 HSiPh₃ 
• 53470-70-5 IrH₅(P-(i-Pr)3)2 
• 372-18-9 1,3-Difluorobenzene 
• 2875-18-5 2,3,5,6-tetrafluoropyridine 
• 363-72-4 Pentafluorobenzene 

Downstream Products

• 1083010-93-8 cis,trans-[IrH₂(P(iPr)3)2(1,3-difluorobenzene-2-yl)(CO)] 

Relevant academic research and scientific papers

Synthesis, structure and reactivity of iridium hydrido fluorido complexes

The oxidative addition of HF at trans-[Ir(ArF) (η2-C2H4)(PiPr3)2] (1a: ArF = 4-C5NF4; 1b: ArF = 2-C6H3F2) affords the fluorido complexes trans-[Ir(ArF)(F)(H)(PiPr3)2] (2a: Ar F = 4-C5NF4; 2b: ArF = 2-C 6H3F2). The hydrido fluorido complex 2a is also accessible by means of the reaction of the hydroxido complex trans-[Ir(4-C 5NF4)(H)(OH)(PiPr3)2] (3a) with Et3N·3HF. Both compounds 2a and 2b react with CO to give the carbonyl complexes trans-[Ir(4-C5NF4)(F)(H)(CO)(PiPr 3)2] (4a: ArF = 4-C5NF4; 4b: ArF = 2-C6H3F2). In the presence of traces of water, a slow reaction of 2a with CO2 yields the hydrogencarbonato complex trans-[Ir(4-C5NF4)(H)( 2-(O,O)-O2COH)(PiPr3)2] (5a). Upon using 2a or 2b as fluorinating agent, Ph3SiH could be converted into Ph3SiF and CH3C(O)Cl into CH3C(O)F. The oxidative addition of HF at trans-[Ir(4-C5NF4) (I·2-C2H4)(PiPr3) 2] affords the fluorido complex trans-[Ir(4-C5NF 4)(F)(H)(PiPr3)2], which exhibits a square-pyramidal configuration. The latter reacts with acetyl chloride to yield acetyl fluoride and trans-[Ir(4-C5NF4)(Cl)(H)(PiPr 3)2].

Iridium derivatives of fluorinated aromatics by C-H activation: Isolation of classical and non-classical hydrides

A reaction of trans-[Ir(H)5(PiPr3)2] (1) with 2,3,5,6-tetrafluoropyridine, pentafluorobenzene or 1,3-difluorobenzene in the presence of neohexene affords the square-pyramidal C-H activation products cis-trans-[Ir(4-C5NF4)(H)2(PiPr 3)2] (2), cis-trans-[Ir(C6F5)(H) 2(PiPr3)2] (4) and cis-trans-[Ir(2-C 6H3F2)(H)2(PiPr3) 2] (6). Irradiation of complex 1 with 2,3,5,6-tetrafluoropyridine or pentafluorobenzene gave the hydrides cis-trans-[Ir(4-C5NF 4)(H)2(H2)(PiPr3)2] (3) or cis-trans-[Ir(C6F5)(H)2(H 2)(PiPr3)2] (5). The presence of non-classical bound H2 moieties has been demonstrated by the measurement of T 1 times at different temperatures. For 3 the H-H distance in the H2 ligand can be estimated to be 0.82 A. The dihydride compounds 2, 4 and 6 react with CO to yield the complexes cis-trans-[Ir(Ar)(H) 2(CO)(PiPr3)2] (7: Ar = 4-C5NF 4, 8: Ar = C6F5, 9: Ar = 2-C6H 3F2). A reaction of 2 or 3 with an excess of ethylene leads to the formation of ethane and the Ir(i) ethylene complex trans-[Ir(4-C5NF4)(η2-C2H 4)(PiPr3)2] (10). Treatment of 10 with CO furnishes the Ir(i) complex trans-[Ir(4-C5NF4)(CO) (PiPr3)2] (11). The Royal Society of Chemistry 2008.