Octaphenyl-1,5,2λ⁵,3,4λ⁵,6λ⁵,7,8λ⁵-diazahexaphosphocin | 96688-83-4

• 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: Octaphenyl-1,5,2λ⁵,3,4λ⁵,6λ⁵,7,8λ⁵-diazahexaphosphocin
• 英文别名: octaphenyl-1,5,2λ(5),3,4λ(5),6λ(5),7,8λ(5)-diazahexaphosphocine；2,2,4,4,6,6,8,8-Octakis-phenyl-1,5-diaza-2lambda5,3,4lambda5,6lambda5,7,8lambda5-hexaphosphacycloocta-1,3,5,7-tetraene；2,2,4,4,6,6,8,8-octakis-phenyl-1,5-diaza-2λ5,3,4λ5,6λ5,7,8λ5-hexaphosphacycloocta-1,3,5,7-tetraene
• CAS: 96688-83-4
• 化学式: C₄₈H₄₀N₂P₆
• 分子量: 830.702
• InChiKey: OTTZSOMKKBAJKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Octaphenyl-1,5,2λ⁵,3,4λ⁵,6λ⁵,7,8λ⁵-diazahexaphosphocin 、 bis(benzonitrile)palladium(II) chloride 以 二氯甲烷 为溶剂， 以62%的产率得到PdCl2(octaphenyl-1,5,2λ(5),3,4λ(5),6λ(5),7,8λ(5)-diazahexaphosphocin)
  参考文献：
  名称：

  Schmidpeter, A.; Steinmueller, F.; Sheldrick, W. S., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  Lithium-bis(diphenylphosphanyl)amid 在 phosphorus 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以65%的产率得到Octaphenyl-1,5,2λ⁵,3,4λ⁵,6λ⁵,7,8λ⁵-diazahexaphosphocin
  参考文献：
  名称：

  Schmidpeter, Alfred; Burget, Guenther, Angewandte Chemie, 1985, vol. 97, # 7, p. 602 - 603

  摘要：

  DOI：

文献信息

• Polyfunctional ligands: comparative oxidative coupling of [E(PPh₂)₂]^–(E = CH, N) with iodine
  作者：Pierre Braunstein、Reinhard Hasselbring、Antonio Tiripicchio、Franco Ugozzoli

  DOI：10.1039/c39950000037

  日期：——

  Iodine oxidation of the isoelectronic anions [N(PPh2)2]– and [HC(PPh2)2]– affords the structurally characterized P–P coupling product Ph2P–NPPh2–PPh2N–PPh2 and the P–C coupling product (Ph2P)2CPPh2–CH2–PPh2, respectively; the P–P heterocoupling product Ph2P–NPPh2–PPh2CH–PPh2 is obtained in the cross-coupling experiment of Li[N(PPh2)2] and Li[HC(PPh2)2] with iodine at –40 °C.

  等电子阴离子[N(PPh2)2]â和[HC(PPh2)2]â的碘氧化分别得到了结构上具有特征的 PâP 偶联产物 Ph2PâNPPh2âPPh2NâPPh2 和 PâC 偶联产物 (Ph2P)2CPPh2âCH2âPPh2；Li[N(PPh2)2] 和 Li[HC(PPh2)2] 在â40 °C 下与碘的交叉偶联实验中得到了 PâP 异偶联产物 Ph2PâNPPh2âPPh2CHâPPh2 。
• Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers
  作者：Stephanie C. Kosnik、Gregory J. Farrar、Erin L. Norton、Benjamin F. T. Cooper、Bobby D. Ellis、Charles L. B. Macdonald

  DOI：10.1021/ic502229w

  日期：2014.12.15

  A convenient preparative approach to low-valent phosphorus-rich oligomers is presented. Ligand substitution reactions involving anionic diphosphine ligands of the form [(PR2)(2)N](-) and [(PPh2)(2)C5H3](-) and a triphosphenium bromide P(I) precursor result in the formation of phosphorus(I)-containing heterocycles, several of which are of types that have never been prepared before. The methodology described also allows for the preparation of the known heterocycle cyclo-[P(PPh2)N(PPh2)](2) in better yields and purity than the synthetic approach reported previously. Preliminary reactivity studies demonstrate the viability of such zwitterionic oligomers as multidentate ligands for transition metals.