trans-[PtCl₂{NH=C(Ph)N=C(NMe₂)₂}(benzonitrile)] | 1401089-60-8

• 英文名称: trans-[PtCl₂{NH=C(Ph)N=C(NMe₂)₂}(benzonitrile)]
• 英文别名: trans-[PtCl₂{NH=C(Ph)N=C(NMe₂)₂}(NCPh)]
• CAS: 1401089-60-8
• 化学式: C₁₉H₂₃Cl₂N₅Pt
• 分子量: 587.411
• InChiKey: HAUVZNOZFRKFGP-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：
  None
• 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：

  1,3-二亚胺基异吲哚啉 、 trans-[PtCl₂{NH=C(Ph)N=C(NMe₂)₂}(benzonitrile)] 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 [PtCl{NH=C(Ph)N=C(C₆H₄)NC=NC(Ph)=NH}]
  参考文献：
  名称：

  Pt^II-Mediated Imine–Nitrile Coupling Leading to Symmetrical (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing the Incorporated 1,3-Diiminoisoindoline Moiety

  摘要：

  Treatment of trans-[PtCl2(NCR)(2)] (1; R = Et (1a), Ph (1b)) with 1,3-diiminoisoindoline (2) gives access to the corresponding symmetrical (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) complexes [PtCl{NH=C(R)N=C(C6H4)-NC=NC(R)=NH}] (3). The reactions of 1 with one equivalent of 1,1,3,3-tetramethylguanidine (4), 1,3-diphenylguanidine (6), or acetone oxime (8) leads to the formation of mixed asymmetrical Pt(II) complexes trans-[PtCl2{NH=C(R)N=C(NMe2)(2)} (NCR)] (5), [PtCl{NH=C(R)NC(NHPh)=NPh}(NCR)] (7), or trans-[PtCl2{NH=C(Ph)ON=CMe2)(NCPh)] (9), respectively, as a result of nucleophilic addition to one of the nitrile ligands in I. Treatment of 5, 7, and 9 with one equivalent of 2 leads to complexes 3. The complexes were characterized by IR. H-1, C-13{H-1}, and Pt-195 NMR (for 3) spectroscopies, ESI+-MS, elemental analyses, and X-ray diffraction (for 3). Complex 3a has an asymmetric unit with five independent Pt molecules of the same chemical composition and two molecules of water, resulting in a total of 40 molecules of the complex and sixteen guest water molecules per unit cell. Theoretical calculations revealed that the most plausible mechanism of formation of complexes 3 includes stepwise nucleophilic addition of 2 to one of the nitrile ligands in 1, a first cyclization upon formation of the Pt-N bond and elimination of HCl, and a second nucleophilic addition/cyclization.

  DOI：

  10.1021/ic301176b
• 作为产物：
  描述：

  trans-bis(benzonitrile)dichloroplatinum(II) 、 四甲基胍 以 二氯甲烷 为溶剂， 反应 12.0h， 以67%的产率得到trans-[PtCl₂{NH=C(Ph)N=C(NMe₂)₂}(benzonitrile)]
  参考文献：
  名称：

  Pt^II-Mediated Imine–Nitrile Coupling Leading to Symmetrical (1,3,5,7,9-Pentaazanona-1,3,6,8-tetraenato)Pt(II) Complexes Containing the Incorporated 1,3-Diiminoisoindoline Moiety

  摘要：

  Treatment of trans-[PtCl2(NCR)(2)] (1; R = Et (1a), Ph (1b)) with 1,3-diiminoisoindoline (2) gives access to the corresponding symmetrical (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) complexes [PtCl{NH=C(R)N=C(C6H4)-NC=NC(R)=NH}] (3). The reactions of 1 with one equivalent of 1,1,3,3-tetramethylguanidine (4), 1,3-diphenylguanidine (6), or acetone oxime (8) leads to the formation of mixed asymmetrical Pt(II) complexes trans-[PtCl2{NH=C(R)N=C(NMe2)(2)} (NCR)] (5), [PtCl{NH=C(R)NC(NHPh)=NPh}(NCR)] (7), or trans-[PtCl2{NH=C(Ph)ON=CMe2)(NCPh)] (9), respectively, as a result of nucleophilic addition to one of the nitrile ligands in I. Treatment of 5, 7, and 9 with one equivalent of 2 leads to complexes 3. The complexes were characterized by IR. H-1, C-13{H-1}, and Pt-195 NMR (for 3) spectroscopies, ESI+-MS, elemental analyses, and X-ray diffraction (for 3). Complex 3a has an asymmetric unit with five independent Pt molecules of the same chemical composition and two molecules of water, resulting in a total of 40 molecules of the complex and sixteen guest water molecules per unit cell. Theoretical calculations revealed that the most plausible mechanism of formation of complexes 3 includes stepwise nucleophilic addition of 2 to one of the nitrile ligands in 1, a first cyclization upon formation of the Pt-N bond and elimination of HCl, and a second nucleophilic addition/cyclization.

  DOI：

  10.1021/ic301176b