N-ferrocenoyl-N'-2-pyrimidyl thiourea | 1346451-42-0

• 英文名称: N-ferrocenoyl-N'-2-pyrimidyl thiourea
• CAS: 1346451-42-0
• 化学式: C₁₆H₁₄FeN₄OS
• 分子量: 366.226
• InChiKey: SSRSMTWWGJTRGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 ferrocenecarbonyl isothiocyanate 以 丙酮 为溶剂， 以54%的产率得到N-ferrocenoyl-N'-2-pyrimidyl thiourea
  参考文献：
  名称：

  Ferrocene-modified pyrimidinyl acyl-thiourea derivatives: Synthesis, structures and electrochemistry

  摘要：

  Two ferrocene-modified pyrimidinyl acyl-thiourea derivatives, N-ferrocenoyl-N'-(2-pyrimidinyl) thiourea 1 and N-ferrocenoyl-N'-(5-pyrimidinyl) thiourea 2 were prepared from the reactions of ferrocenoyl isothiocyanate with 2-aminopyrimidine or 5-aminopyrimidine, respectively. Both of the new compounds were characterized by H-1 NMR, C-13 NMR, IR, elemental analyses and single-crystal X-ray diffraction. Comparing with ferrocene, compounds 1 and 2 show red-shift in the absorption peaks and increasing anodic peak potentials (E-pa) values in the cyclic voltammetry studies. Furthermore, the electrochemical data of compounds 1 and 2 correspondingly exhibit one-electron quasi-reversible and reversible electrochemical redox behaviors. In the solid-state, compound 1 forms a ladder-like assembly by hydrogen-bonding, whereas, compound 2 is assembled into two-dimensional network structure through hydrogen-bonding and unusual intermolecular O center dot center dot center dot pi interactions between O-atoms of the carbonyl units and the cyclopentadienyl rings. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.08.030