Carbonyldichlorohydrobis(triphenylphosphine)iridium

Base Information

• Chemical Name: Carbonyldichlorohydrobis(triphenylphosphine)iridium
• CAS No.: 17000-10-1
• Molecular Formula: C37H31 Cl2 Ir O P2
• Molecular Weight: 816.726
• European Community (EC) Number: 241-078-8
• Mol file: 17000-10-1.mol

Synonyms:Carbonyldichlorohydrobis(triphenylphosphine)iridium;EINECS 241-078-8;17000-10-1;Iridium, carbonyldichlorohydrobis(triphenylphosphine)-

Chemical Property of Carbonyldichlorohydrobis(triphenylphosphine)iridium

Chemical Property:

• Boiling Point: 360°Cat760mmHg
• Flash Point: 181.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 816.08564
• Heavy Atom Count: 43
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [H-].[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.[Cl-].[Cl-].[Ir+3]

Technology Process of Carbonyldichlorohydrobis(triphenylphosphine)iridium

There total 28 articles about Carbonyldichlorohydrobis(triphenylphosphine)iridium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

trans-Ir(CO)(CH3)(PPh3)2 → HIrCl2(CO)(PPh3)2 (17000-10-1) + acetone (67-64-1)

Guidance literature:

With CH₃COCl; In not given; on vac. line solvent and CH3COCl are distd. into vessel contg. trans-MeIr(CO)(PPh3)2, allowed to react for several hours; gas, liquid and solid examined by chromy. and spectroscopy;

DOI:10.1016/0022-328X(87)80372-8

Reference yield: 91.0%

trans-MeOIr(CO)(PPh3)2 (94070-38-9) → HIrCl2(CO)(PPh3)2 (17000-10-1) + CH3C(O)IrCl2(CO){P(C6H5)3}2 (33394-10-4) + acetic acid methyl ester (79-20-9)

Guidance literature:

With acetyl chloride; In benzene; soln. placed in a pressure tube fitted with a Teflon stopcock, degassed (vac.), acetyl chloride distilled onto the soln., stirred (1 h); solvent removed by vac. distillation; relation of yield to by-product yield depending on the purity of CH3COCl used and on the care of work up;

DOI:10.1021/om00105a034

Reference yield: 76.0%

hydrogenchloride (7647-01-0,15364-23-5) + (CH3)((C6H5)3P)2(CO)Ir(CCC6H4CH3)(CH3CN)(1+)*ClO4(1-)=[(CH3)((C6H5)3P)2(CO)Ir(CCC6H4CH3)(CH3CN)]ClO4 (252057-97-9) → cis-trans-IrHCl2(CO)(PPh3)2 (17000-10-1,26545-07-3,50409-74-0)

Guidance literature:

In chloroform; water; N2-atmosphere; pptn. on stirring (25°C, 12 h); washing (H2O), collecting, washing (n-hexane), drying (vac.);

DOI:10.1021/om9903442

upstream raw materials:

carbonylhydridotris(triphenylphosphine)iridium(I)

hydrogenchloride

bis(triphenylphosphine)carbonyliridium(I) chloride

(CO){CF₃CN₄}Ir(P(C₆H₅)3)2

Refernces

• 1、 Hasnip, Sarah K.,Duckett, Simon B.,Sleigh, Christopher J.,Taylor, Diana R.,Barlow, Graham K.,Taylor, Mike J.. "New products in an old reaction: Isomeric products from H2 addition to Vaska's complex and its analogues". . p. 1717 - 1718. Retrieved 2007/10/03.
• 2、 Chin, Chong Shik,Cho, Haeyeon,Won, Gyongshik,Oh, Moonhyun,Ok, Kang Min. "Reaction of an (alkyl)(alkenyl)(alkynyl)iridium(III) complex with HCl: Intramolecular C-C bond formation from alkyl, alkenyl, and alkynyl groups coordinated to "Ir(CO)(PPh3)2". H/D exchange between CH3 and DCl". . p. 4810 - 4816. Retrieved 2008/10/08.