[Ir(Cp*)Cl2]2

Base Information

• Chemical Name: [Ir(Cp*)Cl2]2
• CAS No.: 12354-84-6
• Molecular Formula: C₂₀H₃₀Cl₄Ir₂
• Molecular Weight: 796.71
• Hs Code.: 28439000
• Mol file: 12354-84-6.mol

Synonyms:[Ir(Cp*)Cl2]2;[(?-C5Me5)IrCl2]2;bis(dichlo-ro(?5-pentamethylcyclopentadienyl)iridium);Di-mu-chlorodichlorobis[(1,2,3,4,5-?)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]diiridium;Di-Mu-chlorodichlorobis[(1,2,3,4,5-Eta)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]diiridium;P1763;(Pentamethylcyclopentadienyl)iridium(III) Dichloride Dimer

Chemical Property of [Ir(Cp*)Cl2]2

Chemical Property:

• Melting Point: 245 °C (decomp)(Solv: chloroform (67-66-3); hexane (110-54-3))
• PSA: 0.00000
• LogP: 8.70200
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 796.03073
• Heavy Atom Count: 26
• Complexity: 108

Purity/Quality:

98% min ^*data from raw suppliers

Dichloro(pentamethylcyclopentadienyl)iridium(III) dimer ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-R36/37/38
• Safety Statements: 37/39-26-S37/39-S26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3]
• Uses: Dichloro(pentamethylcyclopentadienyl)iridium(III) dimer is used as a precursor to catalysts for the asymmetric transfer hydrogenation of ketones. It is a catalyst for greener amine synthesis.

Technology Process of [Ir(Cp*)Cl2]2

There total 25 articles about [Ir(Cp*)Cl2]2 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: 99.0%

iridium(III) chloride hydrate + 1,2,3,4,5-pentamethylcyclopentadiene (4045-44-7) → bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] (12354-84-6,12354-85-7)

Guidance literature:

In methanol; (Ar); using Schlenk techniques; treatment of IrCl3*99H2O with C5HMe5 in MeOH according to: C.White, A. Yates, P. M. Maitlis, D. M. Heinekey, Inorg. Synth. 29 (1992) 228;

DOI:10.1016/j.jorganchem.2009.05.022

Reference yield: 96.0%

chloro(1,5-cyclooctadiene)iridium(I) dimer + 1,2,3,4,5-pentamethylcyclopentadiene (4045-44-7) → bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] (12354-84-6,12354-85-7)

Guidance literature:

With hydrogenchloride; In further solvent(s); addn. of concd. HCl to soln. of Ir-complex in pentamethylcyclopentadiene, refluxing with stirring under Ar; leaving stirring for 2 h, crystn., filtn., washing with methanol yields first crop of crystals, further treatment of filtrate yields another batch of crystals, recrystn. from CHCl3/diethyl ether, elem. anal.;

Reference yield: 93.0%

{Ir(C5Me5)(cyclohexadiene)} → bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] (12354-84-6,12354-85-7) + cyclohexene (110-83-8)

Guidance literature:

With HCl; In pentane; (N2); HCl gas bubbled through complex soln.;

DOI:10.1039/DT9840001747

upstream raw materials:

1,2,3,4,5-pentamethylcyclopentadiene

tin(IV) chloride

tetrachloromethane

water-d2

Downstream raw materials:

[(η(5)-pentamethylcyclopentadienyl)IrCl(η(2)-bis(diphenylphosphino)methane-P,P)]ClO4

[(.eta-5-C5Me5)IrCl2]2[μ-bis(diphenylphosphino)propane]

Cp*Ir(CO)(Cl)(CH₂Ph)

[(C₅(CH₃)5)IrCl(C⁽¹⁸⁾O)(CH₂C₆H₅)]

Refernces

• 1、 Zhan, Yulu,Shen, Yangbin,Du, Ying,Yue, Baohua,Zhou, Xiaochun. "Promotion of iridium complex catalysts for HCOOH dehydrogenation by trace oxygen". . p. 499 - 505. Retrieved 2017.
• 2、 Shadap, Lathewdeipor,Diamai, Siewdorlang,Banothu, Venkanna,Negi,Adepally, Uma,Kaminsky, Werner,Kollipara, Mohan Rao. "Half sandwich platinum group metal complexes of thiourea derivative ligands with benzothiazole moiety possessing anti-bacterial activity and colorimetric sensing: Synthesis and characterisation". . p. 44 - 54. Retrieved 2019.
• 3、 Xie, Yongkang,Zhang, Shumiao,Ge, Xingxing,Ma, Wenli,He, Xiaolin,Zhao, Yao,Ye, Juan,Zhang, Hongmin,Wang, Anwei,Liu, Zhe. "Lysosomal-targeted anticancer half-sandwich iridium(III) complexes modified with lonidamine amide derivatives". . . Retrieved 2020.
• 4、 Sackville, Emma V.,Kociok-K?hn, Gabriele,Hintermair, Ulrich. "Ligand Tuning in Pyridine-Alkoxide Ligated Cp?IrIII Oxidation Catalysts". . p. 3578 - 3588. Retrieved 2017.
• 5、 Li, Juanjuan,Guo, Lihua,Tian, Zhenzhen,Tian, Meng,Zhang, Shumiao,Xu, Ke,Qian, Yuchuan,Liu, Zhe. "Novel half-sandwich iridium(iii) imino-pyridyl complexes showing remarkable: In vitro anticancer activity". . p. 15520 - 15534. Retrieved 2017.
• 6、 Jakoobi, Martin,Halcovitch, Nathan,Whitehead, George F. S.,Sergeev, Alexey G.. "Selective Arene Cleavage by Direct Insertion of Iridium into the Aromatic Ring". . . Retrieved 2017.
• 7、 Dkhar, Lincoln,Kaminsky, Werner,Poluri, Krishna Mohan,Kollipara, Mohan Rao. "Versatile coordination modes of benzothiazole hydrazone derivatives towards Ru(II), Rh(III) and Ir(III) complexes and their reactivity studies with azides and activated alkynes". . p. 54 - 63. Retrieved 2019.
• 8、 Wang, Chuanlan,Liu, Jinfeng,Tian, Zhenzhen,Tian, Meng,Tian, Laijin,Zhao, Wenqian,Liu, Zhe. "Half-sandwich iridium N-heterocyclic carbene anticancer complexes". . p. 6870 - 6883. Retrieved 2017.
• 9、 Vekariya, Pankajkumar A.,Karia, Parag S.,Bhatt, Bhupesh S.,Patel, Mohan N.. "Spectroscopic and electrochemical study for evaluating DNA interaction activity of 4-(3-halophenyl)-6-(pyridin-2-yl)pyrimidin-2-amine based piano stool Cp* Rh (III) and Ir (III) complexes". . . Retrieved 2019.
• 10、 Shao, Mingxiao,Yao, Meimei,Liu, Xicheng,Gao, Chao,Liu, Weiyan,Guo, Jinghang,Zong, Jiawen,Sun, Xinzhuo,Liu, Zhe. "In Vitro and in Vivo of Triphenylamine-Appended Fluorescent Half-Sandwich Iridium(III) Thiosemicarbazones Antitumor Complexes". supporting information. p. 17063 - 17073. Retrieved 2021/11/16.