2,4,6-[4-(Cl(PEt3)2PtCC)C6H4]3-1,3,5-C3N3 | 1418421-63-2

• 英文名称: 2,4,6-[4-(Cl(PEt3)2PtCC)C6H4]3-1,3,5-C3N3
• 英文别名: 2,4,6-[4-(Cl(PEt₃)₂PtCC)C₆H₄]₃-1,3,5-C₃N₃
• CAS: 1418421-63-2
• 化学式: C₆₃H₁₀₂Cl₃N₃P₆Pt₃
• 分子量: 1778.96
• InChiKey: JIMQGMBBGLUNSX-UHFFFAOYSA-K

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：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  二茂铁乙炔 、 2,4,6-[4-(Cl(PEt3)2PtCC)C6H4]3-1,3,5-C3N3 在 copper(l) iodide 作用下， 以 氯仿 、 二乙胺 为溶剂， 反应 20.0h， 以42%的产率得到
  参考文献：
  名称：

  Divergent Route to the Preparation of Hybrid Pt–Fe 2,4,6-Tris(4-ethynyl)phenyl-1,3,5-triazine Metallodendrimers for Nonlinear Optics

  摘要：

  The synthesis strategy for the preparation of novel platinum acetylide homometallic and heterobimetallic dendrimers (containing Fe as the other metal fragment) based on a 2,4,6-tris(4-ethynyl)phenyl-1,3,5-triazine core (3) is reported. All the dendrimer generations (G0-G2) were synthesized under copper-free conditions following a divergent route. The G0-Pt dendrimer (4) was synthesized using the 1,3,5-triazine core (3) and cis-[Pt(PEt3)(2)Cl-2] with a molar ratio of 1/4. The advantage of the current method is that different dendrimers can be prepared by following the same procedure with only changes in the molar ratios of the reactants involved. For instance, when 3 reacts with 4 in a 4/1 molar ratio, the G1 dendrimer 7 is afforded without the peripheral Pt moiety, but the G1 dendrimer with the peripheral Pt moiety (8) is formed when 3 reacts with 4 in a 1/3 molar ratio. On the other hand, the G2 dendrimer with a peripheral Pt moiety (9) is synthesized when 7 reacts with 4 in a 1/6 molar ratio. The heterobimetallic dendrimers were synthesized up to generation 1 by capping the corresponding Pt dendrimers with the ethynylferrocenyl group (EFC). The respective G0 (6)- and G1-capped (10) dendrimers were synthesized when EFC reacted with 4 and 8 in molar ratios of 9/1 and 18/1, respectively. Nonlinear optical (NLO) polarizabilities measured by hyper-Rayleigh scattering (HRS) have been evaluated for the core 3, for the GO dendrimer 4, and for the GO dendrimer capped with EFC (6). In spite of the fact that the stability of the higher generations in chloroform is too low to allow HRS measurements, the reported NLO results show a remarkable enhancement (plus 50%) upon capping the zero dendrimer generation (6), reflecting the importance of the introduction of electron donor organometallic capping groups in the hyperpolarizabilities of the resulting dendrimers.

  DOI：

  10.1021/om300745v
• 作为产物：
  描述：

  顺-二氯双(三乙基膦)铂(II) 、 2,4,6-三[(4-乙炔基)苯基]-1,3,5-三嗪 以 甲苯 为溶剂， 反应 48.0h， 以56%的产率得到2,4,6-[4-(Cl(PEt3)2PtCC)C6H4]3-1,3,5-C3N3
  参考文献：
  名称：

  Divergent Route to the Preparation of Hybrid Pt–Fe 2,4,6-Tris(4-ethynyl)phenyl-1,3,5-triazine Metallodendrimers for Nonlinear Optics

  摘要：

  The synthesis strategy for the preparation of novel platinum acetylide homometallic and heterobimetallic dendrimers (containing Fe as the other metal fragment) based on a 2,4,6-tris(4-ethynyl)phenyl-1,3,5-triazine core (3) is reported. All the dendrimer generations (G0-G2) were synthesized under copper-free conditions following a divergent route. The G0-Pt dendrimer (4) was synthesized using the 1,3,5-triazine core (3) and cis-[Pt(PEt3)(2)Cl-2] with a molar ratio of 1/4. The advantage of the current method is that different dendrimers can be prepared by following the same procedure with only changes in the molar ratios of the reactants involved. For instance, when 3 reacts with 4 in a 4/1 molar ratio, the G1 dendrimer 7 is afforded without the peripheral Pt moiety, but the G1 dendrimer with the peripheral Pt moiety (8) is formed when 3 reacts with 4 in a 1/3 molar ratio. On the other hand, the G2 dendrimer with a peripheral Pt moiety (9) is synthesized when 7 reacts with 4 in a 1/6 molar ratio. The heterobimetallic dendrimers were synthesized up to generation 1 by capping the corresponding Pt dendrimers with the ethynylferrocenyl group (EFC). The respective G0 (6)- and G1-capped (10) dendrimers were synthesized when EFC reacted with 4 and 8 in molar ratios of 9/1 and 18/1, respectively. Nonlinear optical (NLO) polarizabilities measured by hyper-Rayleigh scattering (HRS) have been evaluated for the core 3, for the GO dendrimer 4, and for the GO dendrimer capped with EFC (6). In spite of the fact that the stability of the higher generations in chloroform is too low to allow HRS measurements, the reported NLO results show a remarkable enhancement (plus 50%) upon capping the zero dendrimer generation (6), reflecting the importance of the introduction of electron donor organometallic capping groups in the hyperpolarizabilities of the resulting dendrimers.

  DOI：

  10.1021/om300745v