| 442635-31-6

• CAS: 442635-31-6
• 化学式: C₈H₆Cl₄IrN₄*C₂₄H₂₀P
• 分子量: 831.591
• InChiKey: SFLROHGHOLOUQF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  氯化铱(III) 水合物 、 四苯基氯化膦 、 2 2'-联嘧啶 在 hydrochloric acid 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Regioselective hydrophenylation of olefins catalyzed by an Ir(III) complex

  摘要：

  The novel, anti-Markovnikov, arylation of olefins with benzene to produce straight-chain alkylbenzenes with higher selectivity than branched alkylbenzenes is catalyzed by [Ir(mu-acac-O,O',C(3))(acac-O,O')(acac-C(3))](2) (acac = acetylacetonato), 1[J. Am. Chem. Soc. 122 (2000) 7414]. The reaction of benzene with propylene gave n-propylbenzene and cumene in 61 and 39% selectivities, respectively. The reaction of benzene and styrene afforded 1,2-diphenylethane in 98% selectivity. Considering the anti-Markovnikov regioselectivity and lack of inhibition by water, we propose that the reaction does not proceed via a Friedel-Crafts, carbocation, mechanism. Complex 1, amongst the various transition metal complexes examined, is the most efficient for catalyzing the anti-Markovnikov olefin arylation. The crystal structure of complex 1was solved and is consistent with a binuclear Ir(III) structure with three different types of coordinated acac ligands as reported by earlier solution IR and NMR analyses. [Ir(mu-acac-O,O',C(3))(acac-0,0')Cl](2), 2, was prepared by the reaction of complex 1 with benzoyl chloride, and the crystal structure was also reported. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(01)00390-9