tris(4-methylphenyl)-(pyridin-2-ylmethyl)phosphanium;chloride | 149543-46-4

• 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: tris(4-methylphenyl)-(pyridin-2-ylmethyl)phosphanium;chloride
• CAS: 149543-46-4
• 化学式: C₂₇H₂₇NP*Cl
• 分子量: 431.945
• InChiKey: WGBLSWKQUVRQDM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  tris(4-methylphenyl)-(pyridin-2-ylmethyl)phosphanium;chloride 在 Na₂CO₃ 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 [PdI₂(NC₅H₄CHClP(C₆H₄CH₃)2)C₆H₃CH₃]
  参考文献：
  名称：

  Vicente, José; Chicote, María-Teresa; Lagunas, María-Cristina, Organometallics, 1994, vol. 13, # 4, p. 1243 - 1250

  摘要：

  DOI：

文献信息

• Vicente, José; Chicote, María-Teresa; Lagunas, María-Cristina, Inorganic Chemistry, 1993, vol. 32, # 17, p. 3748 - 3754
  作者：Vicente, José、Chicote, María-Teresa、Lagunas, María-Cristina

  DOI：——

  日期：——
• Platinum-Assisted C-C Bond Formation. Synthesis of Platinum Imidoyl Phosphorus Ylide Complexes and the First Crystal Structure of an Imidoyl Phosphorus Ylide Complex
  作者：Jose Vicente、Maria-Teresa Chicote、Maria-Cristina Lagunas、Peter G. Jones

  DOI：10.1021/ic00126a012

  日期：1995.10

  [To(3)PCH(2)(Py-2)]Cl ([1]Cl-+(-), To = C(6)H(4)Me-4, Py = pyridine) reacts with PtCl2 (1:1) to give [PtCl3PyCH2-PTo(3)}-2}] (2). This complex reacts with various bases, but complex mixtures, which we were unable to separate, are obtained. However, the reaction between [1]Cl-+(-), trans-[PtCl2(NCPh)(2)], and Na2CO3 after refluxing gives mixtures from which it is possible to isolate and characterize the complex cis-[PtCl2NH=C(Ph)C(=PTo(3))(Py-2)-N,N'}] (3). Similarly, starting from the trans-[PtCl2(NCMe)(2)] complex, cis-[PtCl2NH=C(Me)C(=PTo(3))(Py-2)-N,N}] (4) is obtained. These are the first imidoyl phosphorus ylide complexes of platinum. The crystal structures of 3 . CH2Cl2 and 3 . 3CHCl(3) were determined [3 . CH2Cl2: C35H33Cl4N2PPt, triclinic, P ($) over bar 1, 173(2) K, a = 11.367(6) Angstrom, b = 14.252(6) Angstrom, c = 14.532(7) Angstrom, alpha = 60.87(3)degrees, beta = 74.62(4)degrees, gamma = 73.17(4)degrees. 3 . 3CHCl(3): C37H34C11N2PPt, triclinic, P ($) over bar 1, 143(2) K, a = 11.257(3) Angstrom, b = 12.132(4) Angstrom, c = 16.921(5) Angstrom, alpha = 105.90(2)degrees, beta = 105.75(2)degrees, gamma = 90.14(2)degrees, Z= 2]. These are the first crystal structures of imidoyl phosphorus ylide complexes. The Pt-Cl bond distances are significantly different, showing the greater trans influence of imino group compared to the pyridyl group. The double-bond character of the N(1)-C(2) and P-C(1) bonds is reduced via conjugation through the C(1)-C(2) bond.