p-[(triphenylphosphinomethyl)-benzonitrile] iodine | 329247-65-6

• 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: p-[(triphenylphosphinomethyl)-benzonitrile] iodine
• 英文别名: [(p-nitrilephenyl)methyl]triphenylphosphonium iodide；(4-cyanophenyl)methyl-triphenylphosphanium;iodide
• CAS: 329247-65-6
• 化学式: C₂₆H₂₁NP*I
• 分子量: 505.338
• InChiKey: RGYNVRSAYJUJGA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-(E)-4-[2-(ferrocenyl)ethenyl]benzaldehyde 、 p-[(triphenylphosphinomethyl)-benzonitrile] iodine 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  Preparation, properties and coordination of new conjugated ferrocenyl-based ligands with an end-capped nitrile

  摘要：

  New ferrocenyl-nitrile conjugated ligands have been obtained by several routes in which we combined Wittig and Horner-Emmons-Wadsworth (HEW) reactions, being the latter the one that shows better results both in yield and selectivity for the E isomers. The coordination capabilities of these new ligands have been proved using different metal carbonyls and the electronic spectra of the compounds have been studied, showing a clear dependence on the length of the conjugated chain and in the nature of the coordinated metal carbonyl fragment. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00557-x

文献信息

• Syntheses, crystal structures and electrochemical studies of bi- and trimetallic conjugated ferrocene-based complexes
  作者：José A. Mata、Eduardo Peris

  DOI：10.1039/b104433h

  日期：2001.12.13

  New bisferrocenyl pyridine, nitrile and nitro terminated compounds have been obtained by Wittig reactions. The coordination capabilities of the nitrile and pyridine compounds have been proved by coordination to M(CO)5 fragments, M being Cr, Mo or W. The electrochemical properties of the compounds have been studied by means of cyclic voltammetry, showing an effective electronic coupling between the two ferrocenyl fragments. The crystal structures of several of the described complexes are reported, showing that, in all cases, the syn conformation on the 1,1′ bis-substituted ferrocene is preferred over the anti one.

  通过Wittig反应得到了新的双二茂铁基吡啶、腈和硝基封端化合物。通过与M(CO)5片段的配位证明了腈和吡啶化合物的配位能力，M为Cr、Mo或W。通过循环伏安法研究了化合物的电化学性质，显示出有效的电子耦合位于两个二茂铁基片段之间。报道了几种所述配合物的晶体结构，表明在所有情况下，1,1'双取代二茂铁上的顺式构象优于反式构象。