[(2-O-3,5-(t-Bu)2C6H2NC=CHN(i-Pr)CH)Pd(Me2NCH2C6H5)] | 1260398-27-3

• 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: [(2-O-3,5-(t-Bu)2C6H2NC=CHN(i-Pr)CH)Pd(Me2NCH2C6H5)]
• CAS: 1260398-27-3
• 化学式: C₃₀H₄₃N₃OPd
• 分子量: 568.111
• InChiKey: FEHQSSCMDAGYKE-UHFFFAOYSA-M

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：

  (2-HO-3,5-(t-Bu)2C6H2NCH=CHN(t-Bu)CH)Br 、 bis[(benzyldimethylamino)chloropalladium(II)] 在 K₂CO₃ 作用下， 以 乙腈 为溶剂， 以96%的产率得到[(2-O-3,5-(t-Bu)2C6H2NC=CHN(i-Pr)CH)Pd(Me2NCH2C6H5)]
  参考文献：
  名称：

  Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles

  摘要：

  Treatment of the o-hydroxyaryl imidazolinium pro-ligands (2-OH-3,5-(Bu2C6H2)-Bu-t)(R)(C3H3N2)Br-+(-) [R = Me (3a), Pr-i (3b), Bu-t (3c), Ph (3d), Mes (3e)] with the palladacycle [Pd(dmba)(mu-Cl)](2) (dmba = Me2NCH2C6H5) (2) afforded the corresponding aryloxide-NHC (NHC = N-heterocyclic carbene)-ligated palladacycles (2-O-3,5-(Bu2C6H2)-Bu-t)(R)(NHC)Pd(dmba) [R = Me (4), Pr-t (5), Ph (6), Mes (7), Bu-t (8)]. Notably, without isolating 2, complexes 4-8 could also be obtained by one-pot, three-component, sequential reaction of N,N-dimethylbenzylamine, PdCl2, and the pro-ligands in refluxing acetonitrile in the presence of K2CO3. When the N-functional group on the NHCs is tert-butyl, the NHC in 8 adopts an abnormal binding (C4-bonding). All these complexes were fully characterized by H-1 and C-13 NMR, high-resolution mass spectrometry (HRMS), and elemental analysis. Single-crystal X-ray diffraction analysis results further confirmed the molecular structures of 4-8 and the abnormal binding of NHC in 8. With methylaluminoxane (MAO) as cocatalyst these palladacycles showed excellent catalytic activities up to 10(7) g of PNB (mol of Pd)(-1) h(-1) in the addition polymerization of norbornene.

  DOI：

  10.1021/om100994s