[Pd(η(3)-C3H5)(acetone)2]BF4 | 80961-56-4

• 英文名称: [Pd(η(3)-C3H5)(acetone)2]BF4
• CAS: 80961-56-4
• 化学式: BF₄*C₉H₁₇O₂Pd
• 分子量: 350.457
• InChiKey: TXPORHJFDJFILV-UHFFFAOYSA-N

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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  3-(4-dodecanoxyphenyl)pyrazole 、 [Pd(η(3)-C3H5)(acetone)2]BF4 以 丙酮 为溶剂， 以79%的产率得到[Pd(η(3))(3-(4-dodecanoxyphenyl)pyrazol-1-yl)2]BF4
  参考文献：
  名称：

  Pyrazole-based allylpalladium complexes: Supramolecular architecture and liquid crystal behaviour

  摘要：

  The co-ordination of non-mesomorphic 3-substituted pyrazoles Hpz(R) to the [Pd(eta(C3H5)-C-3)](+) fragment gives rise to four-coordinated complexes [Pd(eta(3)-C3H5)(Hpz(R))(2)](+) (R = C6H4OCnH2n+1; n = 12 (I-12), 14 (I-14), 16 (I-16), 18 (I-18)), which were isolated with BF4- as counteranion. The new complexes are proved to have liquid crystal properties exhibiting monotropic or enantiotropic smectic A (SmA) mesophases at low temperatures which range between ca. 40 and 80 degrees C. The crystal structure of I-12 presents a 2D network highly interdigitated, which could be related with the layered structure proposed in the liquid crystalline phase through the X-ray diffraction at variable temperature. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.07.043
• 作为产物：
  描述：

  丙酮 、 bis(η3-allyl-μ-chloropalladium(II)) 、 silver tetrafluoroborate 以 丙酮 为溶剂， 生成 [Pd(η(3)-C3H5)(acetone)2]BF4
  参考文献：
  名称：

  Pyrazole-based allylpalladium complexes: Supramolecular architecture and liquid crystal behaviour

  摘要：

  The co-ordination of non-mesomorphic 3-substituted pyrazoles Hpz(R) to the [Pd(eta(C3H5)-C-3)](+) fragment gives rise to four-coordinated complexes [Pd(eta(3)-C3H5)(Hpz(R))(2)](+) (R = C6H4OCnH2n+1; n = 12 (I-12), 14 (I-14), 16 (I-16), 18 (I-18)), which were isolated with BF4- as counteranion. The new complexes are proved to have liquid crystal properties exhibiting monotropic or enantiotropic smectic A (SmA) mesophases at low temperatures which range between ca. 40 and 80 degrees C. The crystal structure of I-12 presents a 2D network highly interdigitated, which could be related with the layered structure proposed in the liquid crystalline phase through the X-ray diffraction at variable temperature. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.07.043