Ir(PEt3)2(C2H4)2Cl | 107440-80-2

• 英文名称: Ir(PEt3)2(C2H4)2Cl
• CAS: 107440-80-2
• 化学式: C₁₆H₃₈ClIrP₂
• 分子量: 520.098
• InChiKey: FENPANACIKJOPH-UHFFFAOYSA-M

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：
  None
• 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

• 作为反应物：
  描述：

  Ir(PEt3)2(C2H4)2Cl 以 正戊烷 为溶剂， 生成 trans-(Et3P)2Ir(C2H4)(Cl)
  参考文献：
  名称：

  N–Hvis. C–H activation; a major ligand size effect

  摘要：

  反式-[Ir(PR3)2(C2H4)]Cl（3，R = Et；4，R = Pri）复合物与氨的反应途径完全不同，其中 3 经过 NâH 氧化加成，4 与氨配位并在 25°C 时经过乙烯配体的 CâH 活化，生成氢代乙烯基复合物，并在 80°C 时发生膦金属化反应。

  DOI：

  10.1039/c39930000318
• 作为产物：
  描述：

  乙烯 、 diμ-chlorotetrakis(η2-cyclooctene)diiridium(I) 、 三乙基膦 以 正戊烷 为溶剂， 生成 Ir(PEt3)2(C2H4)2Cl
  参考文献：
  名称：

  Isolation, Characterization, and Interconversions of (Et₃P)₂Ir(C₂H₄)_nCl (n = 1, 2)

  摘要：

  The syntheses, characterization, and interconversions of (Et(3)P)(2)Ir(C2H4)(2)Cl (1) and (Et(3)P)(2)Ir(C2H4(Cl) (2) as well as the X-ray crystal structure of 1 are reported. In solution complex 1 has a stereochemically rigid trigonal-bipyramidal structure with nonrotating ethylene ligands. Formation of complex 1 from complex 2 and ethylene is thermodynamically favorable; Delta G(298) = -2.12 +/- 0.03 kcal/mol.

  DOI：

  10.1021/om960385n
• 作为试剂：
  描述：

  降冰片烯 、 苯胺-D2 在 Ir(PEt3)2(C2H4)2Cl zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Rational design in homogeneous catalysis. Iridium(I)-catalyzed addition of aniline to norbornylene via nitrogen-hydrogen activation

  摘要：

  DOI：

  10.1021/ja00228a022

文献信息

• Oxidative Addition of Water and Aliphatic Alcohols by IrCl(trialkylphosphine)₃
  作者：Ofer Blum、David Milstein

  DOI：10.1021/ja012611c

  日期：2002.9.1

  Oxidative addition of aliphatic alcohols to (C8H14)IrCl(PMe3)(3) in benzene yields the cis-hydridoalkoxo products mer-cis-HIr(OR)Cl(PMe3)(3) (R = Me, Et, 1-pentyl, 2-propyl) The analogous hydroxo complex is prepared by oxidative addition of water in THF. The addition rate depends on the nature of the alcohol (methanol > 1-pentanol >> 2-propanol and methanol > water). The reaction is retarded in polar media but accelerated by protic cosolvents. Anionic ligand redistribution involving chloride and alkoxide (or hydroxide) competes with the oxidative addition reaction. A detailed kinetic study suggests that the 16-electron 10(PMe3)(3) is the species undergoing the oxidative addition, and mer-cis-HIr(OR)Cl(PMe3)(3) is the kinetic product. The reaction proceeds by a single-step nucleophilic attack of the metal on the O-H proton pi-Donation by chloride stabilizes the transition state and governs the stereochemical course of the reaction Protic solvent aggregation in the transition state in an apolar medium is suggested mer-cis-HIr(OH)Cl(PEt3)(3), obtained by water addition to IrCl(PEt3)(3), was crystallographically characterized, showing an unusual hydrophobic cage around the hydride ligand.
• Casalnuovo, Albert L.; Calabrese, Joseph C.; Milstein, David, Inorganic Chemistry, 1987, vol. 26, # 7, p. 971 - 973
  作者：Casalnuovo, Albert L.、Calabrese, Joseph C.、Milstein, David

  DOI：——

  日期：——
• Goikhman, Roman; Aizenberg, Michael; Kraatz, Heinz-Bernhard, Journal of the American Chemical Society, 1995, vol. 117, # 21, p. 5865 - 5866
  作者：Goikhman, Roman、Aizenberg, Michael、Kraatz, Heinz-Bernhard、Milstein, David

  DOI：——

  日期：——