299410-01-8

Basic information

• Product Name: [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCCH2CH2OCH3)](OSO2CF3)
• CAS NO: 299410-01-8
• Molecular Weight: 678.796
• Mol File: 299410-01-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCCH2CH2OCH3)](OSO2CF3)(CAS DataBase Reference)
• NIST Chemistry Reference: [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCCH2CH2OCH3)](OSO2CF3)(299410-01-8)
• EPA Substance Registry System: [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NCCH2CH2OCH3)](OSO2CF3)(299410-01-8)

Safety Data

• Hazardous Substances Data: 299410-01-8(Hazardous Substances Data)

Upstream product

• 110-67-8 3-Methoxypropionitrile 
• 260783-56-0 Cp*IrCl(η3-CH2CHCHPh) 
• 2923-28-6 silver trifluoromethanesulfonate 

Downstream Products

• 299410-05-2 [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NHCOCH2CH2OCH3)] 
• 299410-20-1 [(C5(CH3)5)Ir(η3-CH2CHCHC6H5)(NHC(N(CH3)2)CH2CH2OCH3)](OSO2CF3) 

Relevant articles and documents

Addition of OH and alcohols or amines to -C≡N and -CH=CH2 groups of CH2=CHCN coordinated to Cp*Ir(η3-CH2CHCHPh)

Hydroxide ion and alcohols or amines are added regioselectively to the -C≡N and -CH= CH2 groups of CH2=CHCN in [Cp*Ir(η3-CH2CHCHPh)(NCCH=CH2)] + (1a). The unsaturated amido complex Cp*Ir(η3-CH2CHCHPh)(NHCOCH=CH2) (2a), alkoxo amido complexes Cp*Ir-(η3-CH2CHCHPh)(NHCOCH2CH 2OR) (4, R = Me (a), Et (b)), amino amido complexes Cp*Ir-(η3-CH2CHCHPh)(NHCOCH2CH 2NR2) (6, R2 = Me2 (a), (Me)(H) (b)), and an amino iminoether complex [Cp*Ir(η3-CH2CHCHPh)(NH=C(OMe)CH 2CH2NMe2)]+ (8) have been prepared from the reactions of 1a with OH-, OR-/ROH (R = Me, Et), OH-/HNR2 (R2 = Me2, (Me)-(H)), and MeOH/NHMe2, respectively. Reactions of 2, 4, 6, and 8 with aqueous HCl yield Cp*IrCl(η3-CH2CHCHPh) and quantitative amounts of H2NCOCH=CH2 H2NCOCH2CH2-OR, H2NCOCH2CH2NR2, and MeOCOCH2CH2NMe2, respectively. Crystal structures of 1a and 4a have been determined by X-ray diffraction data analysis.