1-(p-cyanophenyl)-2-ferrocenylethylene | 98243-44-8

• 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: 1-(p-cyanophenyl)-2-ferrocenylethylene
• 英文别名: 1-(ethenyl-4-cyanophenyl)ferrocene；p-Cyanostyrylferrocene；cyclopenta-1,3-diene;4-(2-cyclopenta-2,4-dien-1-ylethenyl)benzonitrile;iron(2+)
• CAS: 98243-44-8
• 化学式: C₁₉H₁₅FeN
• 分子量: 313.182
• InChiKey: XZBXKNRMSQFTSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  DL-亮氨醇 、 1-(p-cyanophenyl)-2-ferrocenylethylene 在 zinc(II) chloride 作用下， 以 甲苯 为溶剂， 以73%的产率得到1-ethenyl-(4-(4'-isobutyl-3',4'-dihydrooxazol-2'-yl)phenyl)ferrocene
  参考文献：
  名称：

  Novel ferrocenyl-oxazoline ligands: first preparation of non-symmetrical bis(oxazoline)

  摘要：

  New ferrocenyl-arenylethenyl-oxazoline derivatives have been prepared (5-10) from the mono- and (1,1')-disubstituted (nitrile-ethenylaryl)ferrocene compounds (1 and 2) and the appropriated beta-aminoalcohol (3 and 4) in one step synthesis. The X-ray crystal structure of one of the ferrocenyl-ethenylaryl-oxazoline (5) is described, revealing the unusual quasi-planarity of the oxazoline ring with the phenyl and cyclopentadienyl cycles. Two compounds end-capped (9 and 10) with both, nitrile and oxazoline groups, are the key intermediates to obtain the non-symmetrical bis(oxazoline) 11, containing two different substituted heterocycles. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.10.013
• 作为产物：
  描述：

  [1-(triphenylphosphinomethyl)ferrocenyl]iodide 、 4-氰基苯甲醛 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以44%的产率得到1-(p-cyanophenyl)-2-ferrocenylethylene
  参考文献：
  名称：

  Synthesis and characterization of new ferrocenyl heterobimetallic compounds with high NLO responses

  摘要：

  Several ferrocenyl based heterobimetallic compounds have been obtained and characterized, and their NLO responses have been measured. We find that the observed beta values are among the highest of the organometallic based materials reported up to date. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00569-5