Pd(II)(CF3)(2-PhC6H4)(2,2'-bis(4-tert-butylpyridine)) | 1338929-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Pd(II)(CF3)(2-PhC6H4)(2,2'-bis(4-tert-butylpyridine))
• 英文别名: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;palladium(2+);phenylbenzene;trifluoromethane
• CAS: 1338929-94-4
• 化学式: C₃₁H₃₃F₃N₂Pd
• 分子量: 597.032
• InChiKey: CCZZSKKJPSZDGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.23
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Pd(II)(CF3)(2-PhC6H4)(2,2'-bis(4-tert-butylpyridine)) 、 [双(三氟乙酰氧基)碘]苯 以 乙腈 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  C–H Bond Activation at Palladium(IV) Centers

  摘要：

  This communication describes the first observation and study of C-H activation at a Pd-IV center. This transformation was achieved by designing model complexes in which the rate of reductive elimination is slowed relative to that of the desired C-H activation process. Remarkably, the C-H activation reaction can proceed under mild conditions and with complementary site selectivity to analogous transformations at Pd-II. These results provide a platform for incorporating this new reaction as a step in catalytic processes.

  DOI：

  10.1021/ja2051099
• 作为产物：
  描述：

  Pd(II)(I)(2-PhC6H4)(2,2'-bis(4-tert-butylpyridine)) 、 (三氟甲基)三甲基硅烷 在 CsF 作用下， 以 四氢呋喃 为溶剂， 以58%的产率得到Pd(II)(CF3)(2-PhC6H4)(2,2'-bis(4-tert-butylpyridine))
  参考文献：
  名称：

  C–H Bond Activation at Palladium(IV) Centers

  摘要：

  This communication describes the first observation and study of C-H activation at a Pd-IV center. This transformation was achieved by designing model complexes in which the rate of reductive elimination is slowed relative to that of the desired C-H activation process. Remarkably, the C-H activation reaction can proceed under mild conditions and with complementary site selectivity to analogous transformations at Pd-II. These results provide a platform for incorporating this new reaction as a step in catalytic processes.

  DOI：

  10.1021/ja2051099

文献信息

• C–H Bond Activation at Palladium(IV) Centers
  作者：Joy M. Racowski、Nicholas D. Ball、Melanie S. Sanford

  DOI：10.1021/ja2051099

  日期：2011.11.16

  This communication describes the first observation and study of C-H activation at a Pd-IV center. This transformation was achieved by designing model complexes in which the rate of reductive elimination is slowed relative to that of the desired C-H activation process. Remarkably, the C-H activation reaction can proceed under mild conditions and with complementary site selectivity to analogous transformations at Pd-II. These results provide a platform for incorporating this new reaction as a step in catalytic processes.