trans-[PtCl2{NH=C(Ph)ON=CMe2}(benzonitrile)] | 1174525-47-3

• 英文名称: trans-[PtCl2{NH=C(Ph)ON=CMe2}(benzonitrile)]
• 英文别名: trans-[PtCl₂{NH=C(Ph)ON=CMe₂}(benzonitrile)]；trans-[PtCl₂{NH=C(Ph)ON=CMe₂}(NCPh)]；trans-[PtCl2(NH=C(Ph)ON=CMe2)(NCPh)]
• CAS: 1174525-47-3
• 化学式: C₁₇H₁₇Cl₂N₃OPt
• 分子量: 545.327
• InChiKey: MEHLBSRBZUMGBR-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)ON=CMe2}(benzonitrile)] 以 二氯甲烷 为溶剂， 反应 2.0h， 以68%的产率得到[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：

  丙酮肟 、 trans-bis(benzonitrile)dichloroplatinum(II) 以 二氯甲烷 为溶剂， 以55%的产率得到trans-[PtCl2{NH=C(Ph)ON=CMe2}(benzonitrile)]
  参考文献：
  名称：

  光学活性混合不对称亚胺铂 (II) 配合物 - 利用释放的亚胺进一步合成混合亚胺-二氮杂二烯配合物和 (E)-氰基烯烃

  摘要：

  用 (R*)-樟脑肟 (C 9 H 16 )C=NOH (R*) 处理反式-[PtC1 2 (NCR) 2 ] (1) {R = CH 2 CO 2 Me (la), Ph (1b)} ( 2) 获得旋光混合亚胺-腈络合物反式-(R*)-[PtCl 2 {NH=C(R)ON=C(C 9 H 16 )}(NCR)] (4)，其中，与酮肟反应 R 1 R 2 C=NOH (3) {R 1 =R 2 = Me (3a), C 4 H 8 (3b)}，得到手性不对称双（亚胺）配合物反式（R*） -[PtCl 2 {NH=C(R)ON=C(C9Hi6)}{NH=C(R)-ON=CR 1 R 2 }] (6) 中等收率。另一种途径涉及起始配合物 1 与酮肟 3 反应得到混合亚胺-腈配合物反式-[PtCl 2 {NH=C(R)ON=CR 1 R 2 }(NCR)] (5)，然后通过后者与 (R*)-樟脑肟

  DOI：

  10.1002/ejic.200800343