[(OC-6-13)-RuCl2[P(p-CH3C6H5)3]2(en)] | 212143-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(OC-6-13)-RuCl2[P(p-CH3C6H5)3]2(en)]
• 英文别名: Dichlororuthenium;ethane-1,2-diamine;tris(4-methylphenyl)phosphane
• CAS: 212143-22-1
• 化学式: C₄₄H₅₀Cl₂N₂P₂Ru
• 分子量: 840.818
• InChiKey: WPEVWQJADPZPLG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.02
• 重原子数：
  51
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  dichlorotris(tri(p‑tolyl)phosphine)ruthenium(II) 、 乙二胺 以 乙醚 、 二氯甲烷 为溶剂， 以79%的产率得到[(OC-6-13)-RuCl2[P(p-CH3C6H5)3]2(en)]
  参考文献：
  名称：

  trans-[RuCl2(phosphane)2(1,2-diamine)] and Chiraltrans-[RuCl2(diphosphane)(1,2-diamine)]: Shelf-Stable Precatalysts for the Rapid, Productive, and Stereoselective Hydrogenation of Ketones

  摘要：

  A turnover number (TON) of 2 400 000 and a turnover frequency (TOF) of 63 s-1 are achieved with the chiral RuII complex 1 (R=p-CH3 C6 H4 ) in the asymmetric hydrogenation of acetophenone. Carbonyl-selective asymmetric hydrogenation of α,β-unsaturated ketones proceeds in the presence of these RuII catalysts, and 4-substituted cyclohexanones are selectively converted into cis alcohols.

  DOI：

  10.1002/(sici)1521-3773(19980703)37:12<1703::aid-anie1703>3.0.co;2-i
• 作为试剂：
  描述：

  2-甲基二苯甲酮 在 [(OC-6-13)-RuCl2[P(p-CH3C6H5)3]2(en)] 、 potassium tert-butylate 、 氢气 作用下， 以 异丙醇 为溶剂， 35.0 ℃ 、810.65 kPa 条件下， 反应 18.0h， 以100%的产率得到2-甲基二苯甲醇
  参考文献：
  名称：

  Selective Hydrogenation of Benzophenones to Benzhydrols. Asymmetric Synthesis of Unsymmetrical Diarylmethanols

  摘要：

  [GRAPHICS]trans-RuCl2[P(C6H4-4-CH3)(3)](2)(NH2CH2CH2NH2) acts as a highly effective precatalyst for the hydrogenation of a variety of benzophenone derivatives to benzhydrols that proceeds smoothly at 8 atm and 23-35 degrees C in 2-propanol containing t-C4H9OK with a substrate/catalyst ratio of 2000-20000. Use of a BINAP/chiral diamine Ru complex effects asymmetric hydrogenation of various ortho-substituted benzophenones and benzoylferrocene to chiral diarylmethanols with consistently high ee.

  DOI：

  10.1021/ol9904139

文献信息

• trans-[RuCl2(phosphane)2(1,2-diamine)] and Chiraltrans-[RuCl2(diphosphane)(1,2-diamine)]: Shelf-Stable Precatalysts for the Rapid, Productive, and Stereoselective Hydrogenation of Ketones
  作者：Henri Doucet、Takeshi Ohkuma、Kunihiko Murata、Tohru Yokozawa、Masami Kozawa、Eiji Katayama、Anthony F. England、Takao Ikariya、Ryoji Noyori

  DOI：10.1002/(sici)1521-3773(19980703)37:12<1703::aid-anie1703>3.0.co;2-i

  日期：1998.7.3

  A turnover number (TON) of 2 400 000 and a turnover frequency (TOF) of 63 s-1 are achieved with the chiral RuII complex 1 (R=p-CH3 C6 H4 ) in the asymmetric hydrogenation of acetophenone. Carbonyl-selective asymmetric hydrogenation of α,β-unsaturated ketones proceeds in the presence of these RuII catalysts, and 4-substituted cyclohexanones are selectively converted into cis alcohols.