trans-P,P-(PO-iPr)2Pd | 1491173-34-2

• 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-P,P-(PO-iPr)2Pd
• CAS: 1491173-34-2
• 化学式: C₂₆H₄₀O₆P₂PdS₂
• 分子量: 681.1
• InChiKey: DLIOYZXDAKJLOI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  对甲苯磺酸 在 正己基锂 、 trifluoroborane diethyl ether 作用下， 以 四氢呋喃 、 二氯甲烷 、 苯 为溶剂， 反应 72.75h， 生成 (PO-iPr)PdMe(THF) 、 trans-P,P-(PO-iPr)2Pd
  参考文献：
  名称：

  Comparative Reactivity of Zr– and Pd–Alkyl Complexes with Carbon Dioxide

  摘要：

  Structure/reactivity trends and DFT studies reveal mechanistic differences and parallels for the carboxylation of Zr and Pd alkyls. CO2 reacts with Cp2ZrMe(C6D5Cl)(+) >10(4) faster than with Cp2ZrMe2, yielding monoacetate products in both cases. These reactions proceed by insertion mechanisms in which Zr center dot center dot center dot O interactions activate the CO2. In contrast, CO2 reacts readily with [(PO-Pr-i)PdMe2]- (PO-iPr = 2-PiPr(2)-4-Me-C6H3SO3) to yield [(PO-iPr)PdMe(OAc)](-) but not with (PO-iPr)PdMe(L) species. Carboxylation of [(PO-iPr)PdMe2]- occurs by direct S(E)2 attack of CO2 at the PdMetrans-to-P group, and the nucleophilicity of the PdMe group controls the reactivity. However, the SE2 process is accelerated by a Li+center dot center dot center dot OCO interaction when Li+ is present.

  DOI：

  10.1021/om401082k