(2,6-bis((diphenylphosphino)methyl)-3,5-dimethylphenyl)palladium(II) chloride | 1445971-88-9

• 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: (2,6-bis((diphenylphosphino)methyl)-3,5-dimethylphenyl)palladium(II) chloride
• 英文别名: [5-(diphenylphosphanylmethyl)-2,4-dimethylbenzene-6-id-1-yl]methyl-diphenylphosphane;palladium(2+);chloride
• CAS: 1445971-88-9
• 化学式: C₃₄H₃₁ClP₂Pd
• 分子量: 643.441
• InChiKey: GUYDUGYNCBSRKO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,6-bis((diphenylphosphino)methyl)-3,5-dimethylphenyl)palladium(II) chloride 、 silver(I) acetate 以 二氯甲烷 为溶剂， 反应 24.0h， 以96%的产率得到acetoxy(2,6-bis((diphenylphosphino)methyl)-3,5-dimethylphenyl)palladium(II)
  参考文献：
  名称：

  Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source

  摘要：

  A pincer-Pd complex was utilized in the chemoselective transfer hydrogenation of alpha,beta-unsaturated ketones using n-BuOH as a hydrogen source and solvent. Good to excellent yields were obtained for various substrates even with reducible groups. Based on deuterium-labeling experiments, the reaction mechanism is proposed to occur via a pincer-Pd-hydride intermediate.

  DOI：

  10.1021/ol401560q
• 作为产物：
  描述：

  Diphenylphosphine oxide 在 三氯硅烷 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 、 mineral oil 为溶剂， 反应 48.0h， 生成 (2,6-bis((diphenylphosphino)methyl)-3,5-dimethylphenyl)palladium(II) chloride
  参考文献：
  名称：

  Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source

  摘要：

  A pincer-Pd complex was utilized in the chemoselective transfer hydrogenation of alpha,beta-unsaturated ketones using n-BuOH as a hydrogen source and solvent. Good to excellent yields were obtained for various substrates even with reducible groups. Based on deuterium-labeling experiments, the reaction mechanism is proposed to occur via a pincer-Pd-hydride intermediate.

  DOI：

  10.1021/ol401560q
• 作为试剂：
  描述：

  3-壬烯-2-酮 在 (2,6-bis((diphenylphosphino)methyl)-3,5-dimethylphenyl)palladium(II) chloride 、 potassium carbonate 、 正丁醇 作用下， 反应 12.0h， 以68%的产率得到2-壬酮
  参考文献：
  名称：

  Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source

  摘要：

  A pincer-Pd complex was utilized in the chemoselective transfer hydrogenation of alpha,beta-unsaturated ketones using n-BuOH as a hydrogen source and solvent. Good to excellent yields were obtained for various substrates even with reducible groups. Based on deuterium-labeling experiments, the reaction mechanism is proposed to occur via a pincer-Pd-hydride intermediate.

  DOI：

  10.1021/ol401560q