Pd(CNC6H4-p-CH3)2Cl2 | 40927-16-0

• 英文名称: Pd(CNC6H4-p-CH3)2Cl2
• 英文别名: cis-Cl2Pd(CNC64-p-Me)2；Pd(CNC₆H₄-p-CH₃)₂Cl₂；Pd(p-tolyl isocyanide)₂Cl₂
• CAS: 40927-16-0
• 化学式: C₁₆H₁₄Cl₂N₂Pd
• 分子量: 411.627
• InChiKey: NBIZTVZZFZUIIG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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

• 作为反应物：
  描述：

  Pd(CNC6H4-p-CH3)2Cl2 以 not given 为溶剂， 以60%的产率得到cis-dichloro(ethyldiphenylphosphine)(p-tolyl isocyanide)palladium(II)
  参考文献：
  名称：

  由异氰化物-钯 (II) 配合物与腈亚胺和腈基内酯的反应衍生的环状卡宾 - 钯 (II) 配合物

  摘要：

  cis-[PdCl2(PPh2R1)(CN–C6H4–CH3-p)]（R1=Ph 或 Et）与腈亚胺或腈基反应，衍生自 N-苯基芳烃碳腙酰氯或 N-（对硝基苄基）芳烃甲亚胺酰氯的反应与三乙胺，得到新型环状卡宾-钯（II）配合物，即。1,2,4-triazol-5(4H)-ylidene 或 2-imidazolin-5-ylidenepalladium(II) 分别。卡宾配合物与溴化锂或碘化钠的卤素交换反应分别产生相应的二溴或二碘卡宾配合物。trans-[PdI2(PPh2-C6H4-CH3-p)(CN-C6H4–NO2-p)]也与腈亚胺或腈基反应生成环状卡宾-钯(II)配合物。本研究中制备的所有配合物均通过元素分析、IR 和 1H-NMR 进行表征。

  DOI：

  10.1246/bcsj.54.800
• 作为产物：
  描述：

  双(乙腈)氯化钯(II) 、 4-甲苯基异腈 以 二氯甲烷 为溶剂， 以82%的产率得到Pd(CNC6H4-p-CH3)2Cl2
  参考文献：
  名称：

  Michelin, Rino A.; Zanotto, Livio; Braga, Dario, Inorganic Chemistry, 1988, vol. 27, # 1, p. 85 - 92

  摘要：

  DOI：

文献信息

• Metal‐(Acyclic Diaminocarbene) Complexes Demonstrate Nanomolar Antiproliferative Activity against Triple‐Negative Breast Cancer
  作者：Svetlana A. Katkova、Alexander S. Bunev、Rovshan E. Gasanov、Dmitry A. Khochenkov、Andrey V. Kulsha、Oleg A. Ivashkevich、Tatiyana V. Serebryanskaya、Mikhail A. Kinzhalov

  DOI：10.1002/chem.202400101

  日期：——

  and high selectivity for triple-negative breast cancer. Our lead drug candidate surpasses cisplatin by 300 times in vitro and exhibits superior efficacy in reducing the growth of aggressive MDA-MB-231 xenograft tumors in mice. The critical role of interference with metabolic processes and redox homeostasis in achieving excellent selectivity for cancer cells is demonstrated.

  水解稳定的钯和铂二氨基卡宾络合物表现出纳摩尔级的抗增殖活性和对三阴性乳腺癌的高选择性。我们的主要候选药物在体外超过顺铂 300 倍，在减少小鼠侵袭性 MDA-MB-231 异种移植肿瘤的生长方面表现出卓越的功效。干扰代谢过程和氧化还原稳态在实现对癌细胞的优异选择性方面的关键作用得到了证明。
• Interplay of Metallophilic Interactions, π–π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral Pt^II and Pd^II Aryl Isocyanide Complexes
  作者：Ilya M. Sluch、Anthea J. Miranda、Oussama Elbjeirami、Mohammad A. Omary、LeGrande M. Slaughter

  DOI：10.1021/ic301104a

  日期：2012.10.15

  Packing interactions in the crystal structures of a series of cis-M(CNAr)(2)Cl-2 complexes (M = Pt, Pd; Ar = substituted phenyl) were examined and correlated with the luminescence properties of the Pt complexes. The structures of the PhNC and p-tolyl isocyanide complexes exhibit extended chains of metallophilic interactions with M center dot center dot center dot M distances of 3.24-3.25 and 3.34 angstrom, respectively, with nearly isostructural Pt and Pd compounds. Both structure types contain void channels running parallel to the M center dot center dot center dot M chains. The channels are 3-4 angstrom wide and vacant for the phenyl structures, while those in the p-tolyl structures are up to 7.6 angstrom wide and contain water. These channeled structures are stabilized by a combination of metallophilic bonding and aryl pi-pi stacking interactions. The Pt structure with 4-F substituents also features extended Pt center dot center dot center dot Pt chains, but with longer 3.79 angstrom distances alternating with shorter 3.37 angstrom contacts. Structures with 4-CF3 and 4-OMe substituents exhibit mostly isolated dimers of M center dot center dot center dot M contacts. In complexes with 2,6-dimethylphenyl isocyanide, steric hindrance precludes any short M center dot center dot center dot M contacts. The primary effect of aryl substitution is to provide alternative packing motifs, such as CF3 center dot center dot center dot pi and CH3 center dot center dot center dot pi interactions, that either augment or disrupt the combination of metallophilic contacts and pi-pi stacking needed to stabilize extended M center dot center dot center dot M chains. Differences in the Pt and Pd structures containing 4-F and 4-OMe substituents are consistent with a higher driving force for metallophilic interactions for Pt versus Pd. The M-C and M-Cl bond distances indicate a slightly higher trans influence for aryl isocyanides bound to Pt versus Pd. The three extended Pt center dot center dot center dot Pt chain structures display luminescence assignable to (d sigma*-p sigma) excited states, demonstrating the existence of substantial orbital communication along the metal-metal chains. Face-indexing shows that the preferred crystal growth axis is along the metal-metal chains for the luminescent structures. Variable temperature structural studies showed that both M center dot center dot center dot M and pi-pi interactions contract upon cooling. Overall, this study suggests that synergy with pi-pi and other interactions is necessary to stabilize extended M center dot center dot center dot M chain structures. Thus, efforts to design functional materials based on metallophilic bonding must consider the full array of available packing motifs.
• Michelin, Rino A.; Zanotto, Livio; Braga, Dario, Inorganic Chemistry, 1988, vol. 27, # 1, p. 93 - 99
  作者：Michelin, Rino A.、Zanotto, Livio、Braga, Dario、Sabatino, Piera、Angelici, Robert J.

  DOI：——

  日期：——