(4-ferrocenylbutyl)-N-allylcarbamate | 1428230-49-2

• 英文名称: (4-ferrocenylbutyl)-N-allylcarbamate
• CAS: 1428230-49-2
• 化学式: C₁₈H₂₃FeNO₂
• 分子量: 341.233
• InChiKey: ZIMHDYWOEAVQGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-ferrocenylbutanol 、 3-异氰酸丙烯 以 二氯甲烷 为溶剂， 反应 2.5h， 以99.4%的产率得到(4-ferrocenylbutyl)-N-allylcarbamate
  参考文献：
  名称：

  Synthesis and electrochemical properties of ferrocene-containing N-allylcarbamates: Structure of CH2CHCH2–NHCOO–CH2Fc

  摘要：

  A series of ferrocene-containing N-allylcarbamates, CH2=-CHCH2-NHCOO-(CH2)(m)Fc with m = 1-4 and Fc = ferrocenyl, was synthesized by reacting allylisocyanate with different ferrocenylalcohols, Fc-(CH2)(n)-OH (n = 1-4). The electrochemistry of the carbamates was studied by cyclic voltammetry in CH2- Cl-2/0.1 M (NBu4PF6)-Bu-n utilising a glassy carbon working electrode. The ferrocenyl group showed reversible electrochemistry with the formal reduction potential (E degrees' versus FcH/FcH(+)) of the ferrocenyl group inversely proportional to spacer chain length. The single crystal X-ray structure of the complex with m = 1 (monoclinic, P2(1)/c space group) explained the good through bond communication that was electrochemically detected between the electron-withdrawing NHCOO group and electron-donating Fc modalities. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.12.013