chloro(dithioformato-S,S')-cis-bis[dicyclohexyl(methoxyethyl)phosphine-P;P']hydridoiridium(III) | 202335-44-2

• 英文名称: chloro(dithioformato-S,S')-cis-bis[dicyclohexyl(methoxyethyl)phosphine-P;P']hydridoiridium(III)
• CAS: 202335-44-2；202420-15-3
• 化学式: C₃₁H₆₀ClIrO₂P₂S₂
• 分子量: 818.569
• InChiKey: KTFSXQFPFCTESE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  二硫化碳 、 chloro[dicyclohexyl(methoxyethyl)phosphine-P][dicyclohexyl(methoxyethylyl)phosphine-P,O]-cis-dihydridoiridium(III) 以 甲苯 为溶剂， 以88%的产率得到chloro(dithioformato-S,S')-cis-bis[dicyclohexyl(methoxyethyl)phosphine-P;P']hydridoiridium(III)
  参考文献：
  名称：

  Reactivity and chemical exchange processes of bis(ether-phosphine) iridium(III) complexes

  摘要：

  The orthometalated indium(III) complex CIIrH(POCH2)(PO) (POCH2 = eta(2)(P, OCH2) coordination of Cy2PCH2CH2OCH2, PO = eta(2)(P, O) coordination of Cy2PCH2CH2OCH3) (1) reacts with CS2, HCl, and H-2 under re-formation of the methoxy group to give CIIr(eta(2)-CS2)(P similar to O)(2) (3) (P similar to O =eta 1(P) coordination of Cy2PCH2CH2OCH3), trans-(PO)(P similar to O)Ir(H)Cl-2 (4a) and CIIrH2(PO)(P similar to O) (5), respectively. Upon the reaction of 1 with CO the orthometalation is maintained to yield the carbonyl adduct CIIrH(CO)(POCH2)(P similar to O) (2). Compounds 4a and 5 represent potentially unsaturated speices weakly protected by the ether moiety which acts as an intramolecular solvent. The chelated five-membered ring in 4a, cis-(PO)(P similar to O)Ir(H)Cl-2 (4b) and 5 can easily be cleaved by carbon monoxide, pyridine and CS2 whereby the complexes Cl2IrH(CO)(P similar to O)(2) (7), CIIrH2(C5H5N)(P similar to O)(2) (10), CIIrH2(CO)(P similar to O)(2) (11) and the dithioformato complex cis-(P similar to O)(2)Ir(H)Cl(S2CH) (13a) are formed. In toluene 13a isomerizes to give the trans-product 13b. Comparative NMR studies on the fluxional behavior of the ether phosphine ligands of the five monochelated complexes 4a, b, 5, IrH3(P similar to O)(2) (6) and Cl3Ir(PO)(P similar to O) (9a) were performed to determine the dependence of the exchange rates on the strength of the indium-(ether) oxygen bond. Complex 9b, the phenyl congener of 9a, crystallizes in the orthorhombic space group Pna2(1) with Z = 4. The cell dimension are a = 1695.2(3), b = 1093.4(2), c = 1621.5(9) pm, R-1 = 0.018 and wR(2) = 0.042. (C) 1998 Elsevier Science S. A.

  DOI：

  10.1016/s0020-1693(97)05769-1