[PtCl2(N-(4-chlorobenzylidene)-N',N'-dimethyl-1,3-propanediamine)] | 867339-99-9

• 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: [PtCl2(N-(4-chlorobenzylidene)-N',N'-dimethyl-1,3-propanediamine)]
• 英文别名: 3-[(4-chlorophenyl)methylideneamino]-N,N-dimethylpropan-1-amine;platinum(2+);dichloride
• CAS: 867339-99-9
• 化学式: C₁₂H₁₇Cl₃N₂Pt
• 分子量: 490.719
• InChiKey: ZXDJPURCVUTMQT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.28
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [PtCl2(N-(4-chlorobenzylidene)-N',N'-dimethyl-1,3-propanediamine)] 在 sodium acetate 作用下， 以 甲醇 为溶剂， 以50%的产率得到[PtCl(N-(4-chlorobenzylidene)-N',N'-dimethyl-1,3-propanediamine(-1H))]
  参考文献：
  名称：

  Synthesis and reactivity of cyclometallated platinum (II) compounds containing [C,N,N′] terdentate ligands: Crystal structures of [PtCl{(CH3)2N(CH2)3NCH(4-ClC 6H3)}], [PtCl{(CH3)2N(CH2)3NCH(2-ClC6H3)}] and [PtCl{(CH3)2N(CH2)3NCH(3-(CH3)C6H3)}]

  摘要：

  The reaction of compound CiS-[PtCl2(dmos)(2)] With ligands RCHN(CH2)(3)NMe2 (1a-1h) in which R is a phenyl group containing substituents such as Cl, F, Me, NO2 and MeO produced compounds [PtCl2{(CH3)(2)N(CH2)(3)NCHR}] (2), as mixtures of Z and E isomers. When treated with an equimolar amount of sodium acetate in refluxing methanol compounds 2 gave cyclometallated platinum compounds 3 containing a terdentate [C,N,N'] ligand. The obtained compounds were fully characterized including structure determinations for compounds 3a, 3b and 3e. The effects of the substituents in the regioselectivity of the cyclometallation reaction and the reactivity of 3a and 3b with mono and bidentate phosphines were also studied. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.06.038
• 作为产物：
  描述：

  N,N-二甲基-1,3-二氨基丙烷 以 甲醇 、 苯 为溶剂， 生成 [PtCl2(N-(4-chlorobenzylidene)-N',N'-dimethyl-1,3-propanediamine)]
  参考文献：
  名称：

  具有（N，N'）或（C，N，E）-（E = N，S）配体的Pt（II）配合物：细胞毒性研究，对DNA三级结构和构效关系的影响

  摘要：

  含有多官能亚胺R 1 –CH N–R 2 [R 1  =苯基或二茂铁基单元，R 2  =（CH 2）n –CH 2 –NMe 2，其中n  = 1或2）（1和2）或C 6 H ^ 4 -2-SME（3）]作为二齿（N，N'）（4 - 7）或terdentate [C（苯基二茂铁基或），N，N- ′] −（8 – 10）或[C（二茂铁基），N，S] −据报道，在A549肺，MDA-MB231乳腺和HCT116结肠人类腺癌细胞系之前存在配体（11）。结果表明，大部分的铂（II）配合物是针对这三种测定线活性和化合物6，7和platinacycles 10和11表现出显着的抗增殖活性，甚至大于顺铂本身，在顺铂抗性HCT116人类癌细胞线。电泳DNA迁移研究表明，它们大多数以与参考顺铂相似的方式修饰DNA三级结构。为了测试：（a）它们在水性生物介质中的稳定性和/或生物活性物质的形成，以及（b）它们与

  DOI：

  10.1016/j.bmc.2013.05.005

文献信息

• Pt(II) complexes with (N,N′) or (C,N,E)− (E=N,S) ligands: Cytotoxic studies, effect on DNA tertiary structure and structure–activity relationships
  作者：Joan Albert、Ramon Bosque、Margarita Crespo、Jaume Granell、Concepción López、Roldán Cortés、Asensio Gonzalez、Josefina Quirante、Carme Calvis、Ramon Messeguer、Laura Baldomà、Josefa Badia、Marta Cascante

  DOI：10.1016/j.bmc.2013.05.005

  日期：2013.7

  The cytotoxic activity of two series of platinum(II) complexes containing the polyfunctional imines R1–CHN–R2 [R1 = phenyl or ferrocenyl unit and R2 = (CH2)n–CH2–NMe2 where n = 1 or 2) (1 and 2) or C6H4-2-SMe (3)] acting as a bidentate (N,N′) (4–7) or terdentate [C(phenyl or ferrocenyl),N,N′]− (8–10) or [C(ferrocenyl),N,S]− ligand (11) in front of A549 lung, MDA-MB231 breast and HCT116 colon human

  含有多官能亚胺R 1 –CH N–R 2 [R 1  =苯基或二茂铁基单元，R 2  =（CH 2）n –CH 2 –NMe 2，其中n  = 1或2）（1和2）或C 6 H ^ 4 -2-SME（3）]作为二齿（N，N'）（4 - 7）或terdentate [C（苯基二茂铁基或），N，N- ′] −（8 – 10）或[C（二茂铁基），N，S] −据报道，在A549肺，MDA-MB231乳腺和HCT116结肠人类腺癌细胞系之前存在配体（11）。结果表明，大部分的铂（II）配合物是针对这三种测定线活性和化合物6，7和platinacycles 10和11表现出显着的抗增殖活性，甚至大于顺铂本身，在顺铂抗性HCT116人类癌细胞线。电泳DNA迁移研究表明，它们大多数以与参考顺铂相似的方式修饰DNA三级结构。为了测试：（a）它们在水性生物介质中的稳定性和/或生物活性物质的形成，以及（b）它们与
• Synthesis and reactivity of cyclometallated platinum (II) compounds containing [C,N,N′] terdentate ligands: Crystal structures of [PtCl{(CH3)2N(CH2)3NCH(4-ClC 6H3)}], [PtCl{(CH3)2N(CH2)3NCH(2-ClC6H3)}] and [PtCl{(CH3)2N(CH2)3NCH(3-(CH3)C6H3)}]
  作者：Alejandro Capapé、Margarita Crespo、Jaume Granell、Mercè Font-Bardía、Xavier Solans

  DOI：10.1016/j.jorganchem.2005.06.038

  日期：2005.10

  The reaction of compound CiS-[PtCl2(dmos)(2)] With ligands RCHN(CH2)(3)NMe2 (1a-1h) in which R is a phenyl group containing substituents such as Cl, F, Me, NO2 and MeO produced compounds [PtCl2(CH3)(2)N(CH2)(3)NCHR}] (2), as mixtures of Z and E isomers. When treated with an equimolar amount of sodium acetate in refluxing methanol compounds 2 gave cyclometallated platinum compounds 3 containing a terdentate [C,N,N'] ligand. The obtained compounds were fully characterized including structure determinations for compounds 3a, 3b and 3e. The effects of the substituents in the regioselectivity of the cyclometallation reaction and the reactivity of 3a and 3b with mono and bidentate phosphines were also studied. (c) 2005 Elsevier B.V. All rights reserved.