[Pd(η(3)-allyl)(2,6-bis(methylthiomethyl)pyridine)]BF4 | 211129-55-4

• 英文名称: [Pd(η(3)-allyl)(2,6-bis(methylthiomethyl)pyridine)]BF4
• CAS: 211129-55-4
• 化学式: BF₄*C₁₂H₁₈NPdS₂
• 分子量: 433.638
• InChiKey: WVQQOTVAGMNTQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  bis(η3-allyl-μ-chloropalladium(II)) 、 2,6-bis(methylthiomethyl)pyridine 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 生成 [Pd(η(3)-allyl)(2,6-bis(methylthiomethyl)pyridine)]BF4
  参考文献：
  名称：

  Crystal structure and fluxional behavior of novel Pd(II) allyl complexes containing a potentially tridentate S,N,S ligand: an example of selective syn-anti isomerism

  摘要：

  When the potentially tridentate ligand 2,6-bis(methylthiomethyl)pyridine (SNS) is coordinated to the palladium(II) allyl fragment a bidentate 'arm-off' eta(3)-allyl complex is separated in the solid state. In solution, the presence of the non-coordinated sulfur atom induces a syn-anti isomerism at very low temperature in all the studied complexes. In the case of the [Pd(eta(3)-1,1-Me2C3H3) (SNS)](+) cation the syn-anti isomerism becomes selective. The activation parameters for such an isomerism are in accordance with an associative concerted mechanism involving an 18-electron transition state. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(97)06155-0