Pt(CNC6H4-p-CH3)2Cl2 | 27902-69-8

• 英文名称: Pt(CNC6H4-p-CH3)2Cl2
• 英文别名: Pt(CNC₆H₄-p-CH₃)₂Cl₂；Pt(p-tolyl isocyanide)₂Cl₂
• CAS: 27902-69-8
• 化学式: C₁₆H₁₄Cl₂N₂Pt
• 分子量: 500.287
• InChiKey: CQIZJWUZQYDYQJ-UHFFFAOYSA-L

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：
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反应信息

• 作为反应物：
  描述：

  二苯胍 、 Pt(CNC6H4-p-CH3)2Cl2 以75 %的产率得到
  参考文献：
  名称：

  金属-（无环二氨基碳烯）配合物表现出针对三阴性乳腺癌的纳摩尔抗增殖活性

  摘要：

  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。

  DOI：

  10.1002/chem.202400101
• 作为产物：
  描述：

  dichloro( 1,5-cyclooctadiene)platinum(ll) 、 4-甲苯基异腈 以 二氯甲烷 为溶剂， 反应 0.17h， 以82%的产率得到Pt(CNC6H4-p-CH3)2Cl2
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1021/ic301104a