palladium acetate nitrite | 857895-65-9

• 英文名称: palladium acetate nitrite
• 英文别名: Pd₃(OAc)₅(NO₂)；Pd₃(acetate)₃(NO₂)；Pd3(acetato)5(NO2)；Pd3(OAc)5NO2；palladium(2+);pentaacetate;nitrite
• CAS: 857895-65-9
• 化学式: C₁₀H₁₅NO₁₂Pd₃
• 分子量: 660.489
• InChiKey: GMWXFPVZKUAYBP-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  -5.98
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  253
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  palladium acetate nitrite 、 2-ammoniumbiphenyl mesylate 以 甲苯 为溶剂， 反应 0.75h， 以83%的产率得到(2'-amino-1,1'-biphenyl-2-yl)methanesulfonatopalladium(II) dimer
  参考文献：
  名称：

  Can Palladium Acetate Lose Its “Saltiness”? Catalytic Activities of the Impurities in Palladium Acetate

  摘要：

  Commercially available palladium acetate often contains two major impurities, whose presence can impact the overall catalytic efficacy. This systematic study provides a comparison of the differences in catalytic activity of pure palladium acetate, Pd-3(OAc)(6), with the two impurities: Pd-3(OAc)(6)(NO2) and polymeric [Pd(OAc)(2)](n) in a variety of cross-coupling reactions. The solid state C-13 NMR spectra of all three compounds in conjunction with DFT calculations confirm their reported geometries.

  DOI：

  10.1021/acs.orglett.5b02835
• 作为产物：
  描述：

  palladium (II) nitrate 、 溶剂黄146 反应 3.0h， 以32%的产率得到palladium acetate nitrite
  参考文献：
  名称：

  Can Palladium Acetate Lose Its “Saltiness”? Catalytic Activities of the Impurities in Palladium Acetate

  摘要：

  Commercially available palladium acetate often contains two major impurities, whose presence can impact the overall catalytic efficacy. This systematic study provides a comparison of the differences in catalytic activity of pure palladium acetate, Pd-3(OAc)(6), with the two impurities: Pd-3(OAc)(6)(NO2) and polymeric [Pd(OAc)(2)](n) in a variety of cross-coupling reactions. The solid state C-13 NMR spectra of all three compounds in conjunction with DFT calculations confirm their reported geometries.

  DOI：

  10.1021/acs.orglett.5b02835
• 作为试剂：
  描述：

  甲醇 、 一氧化碳 、 5-norbornene-2-spiro-2'-cyclopentanone-5'-spiro-2''-5''-norbornene 在 palladium acetate nitrite 、 copper dichloride 作用下， 20.0 ℃ 、900.01 kPa 条件下， 反应 5.0h， 以89.1%的产率得到norbornane-2-spiro-α-cyclopentanone-α'-spiro-2"-norbornane-5,5",6,6"-tetracarboxylic acid tetramethyl ester
  参考文献：
  名称：

  Method for producing ester compound and palladium catalyst used in the method

  摘要：

  一种生产酯化合物的方法包括使用钯催化剂和氧化剂，将至少具有一个环状结构的去杂环戊烯环和去杂环戊二烯环的化合物与醇和一氧化碳反应，从而在环状结构中形成双键的碳原子上引入酯基并获得酯化合物，其中钯催化剂包括以金属计含有10%或更多的硝酸根配体的乙酸钯，该乙酸钯含有硝酸根配体，其通式表示为（1）：Pd3(CH3COO)5(NO2)。

  公开号：

  US09403158B2

文献信息

• Non-trivial behavior of palladium(ii) acetate
  作者：Vladimir I. Bakhmutov、John F. Berry、F. Albert Cotton、Sergey Ibragimov、Carlos A. Murillo

  DOI：10.1039/b502122g

  日期：——

  Reaction of activated palladium metal with a HNO3/acetic acid mixture produces both orange Pd3(OAc)6, 1, and purple Pd3(OAc)5(NO2), 2. Compound has a trinuclear structure derived from that of the well-known triangular complex 1 in which one acetate group has been replaced by a nitrite group which is bonded to one palladium atom by the nitrogen atom and to another Pd atom using one of the oxygen atoms

  活化钯金属与HNO3 /乙酸混合物的反应会生成橙色Pd3（OAc）6，1，和紫色Pd3（OAc）5（NO2），2。该化合物的三核结构衍生自众所周知的三角形配合物1，其中一个乙酸酯基团已被亚硝酸盐基团取代，该亚硝酸盐基团被一个氮原子与一个钯原子键合，并利用一个氧原子与另一个Pd原子键合。通过使用N2气流从反应混合物中连续除去一氧化氮，可以制得高纯度的1。在氘代溶剂中存在少量水时，CDCl3和C6D6中1的溶液的1H NMR光谱显示多种强度的信号，而当溶剂彻底干燥时，仅显示一个信号。这些结果与当溶剂中含有水时一个或多个水解过程的发生是一致的，并表明关于各种[Pd（OAc）2] n聚集体的假设先前已在文献中提出来解释其光谱的复杂性。 1是不必要的，尤其是对于非极性溶剂。化合物2不会水解，并且在湿或干的溶剂中显示1 H NMR光谱，该光谱由5个等强度的乙酸酯基团组成，由5个等强度的信号组成。
• Palladium(II) acetates: Synthesis and molecular transformation scheme
  作者：R. F. Mulagaleev、S. D. Kirik

  DOI：10.1134/s1070427210120013

  日期：2010.12

  Known methods for synthesis of a trinuclear molecular form of palladium(II) acetate, [Pd-3(CH3COO)(6)], are analyzed and a number of new techniques that enable reliable control over the type of the product obtained and provide its high yield are suggested. A molecular transformation scheme is suggested. This scheme takes into account the formation of both forms of palladium acetate and also the formation of the structurally similar [Pd-3(CH3COO)(3)NO2].