trans-Pd(saccarinate)2(triphenylphosphine)2 | 1351023-57-8

• 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: trans-Pd(saccarinate)2(triphenylphosphine)2
• 英文别名: trans-Pd(sac)2(PPh3)2；1,1-dioxo-1,2-benzothiazol-2-id-3-one;palladium(2+);triphenylphosphane
• CAS: 1351023-57-8
• 化学式: C₅₀H₃₈N₂O₆P₂PdS₂
• 分子量: 995.361
• InChiKey: QJNCWTJDENURGG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.88
• 重原子数：
  63
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  156
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  糖精 以 二氯甲烷 为溶剂， 生成 trans-Pd(saccarinate)2(triphenylphosphine)2
  参考文献：
  名称：

  Sanchez, Gregorio; Garcia, Joaquin; Martinez, Marina, Dalton Transactions, 2011, vol. 40, p. 12676 - 12689

  摘要：

  DOI：
• 作为试剂：
  描述：

  4-氟苯硼酸 、 对硝基溴化苄 在 trans-Pd(saccarinate)2(triphenylphosphine)2 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以81%的产率得到1-(4-氟苄基)-3-硝基苯
  参考文献：
  名称：

  [Pd(PPh3)2(saccharinate)2]—general catalyst for Suzuki–Miyaura, Negishi cross-coupling and C–H bond functionalization of coumaryl and pyrone substrates

  摘要：

  The potential of complex [Pd(PPh3)(2)(saccharinate)(2)] 1 in catalyzing Suzuki-Miyaura cross-coupling of 4-halo and 4-bromomethyl coumaryl and pyrone substrates with different aryl boronic acids has been explored. Excellent yields of the desired products are obtained in competitive reaction time and under relatively mild conditions. Negishi cross-coupling of 4-coumaryl tosylate with aryl and allcylzinc reagents has also been performed with good yields of the cross-coupled products obtained in most cases. Intramolecular C-H bond functionalization of coumaryl ethers also furnished very high yields of synthetically attractive tetracyclic ring systems exhibiting the potential of I as a powerful catalyst in synthetically important reactions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.030