4-ferrocenyl-1H-tetrazole | 917242-55-8

• 英文名称: 4-ferrocenyl-1H-tetrazole
• CAS: 917242-55-8
• 化学式: C₁₁H₁₀FeN₄
• 分子量: 254.074
• InChiKey: KPBKZFWRLYEWAE-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  aminoferrocene 、 sodium azide 在 trimethyl orthoformate 作用下， 以 溶剂黄146 为溶剂， 以56.4%的产率得到4-ferrocenyl-1H-tetrazole
  参考文献：
  名称：

  Synthesis and properties of azole-substituted ferrocenes

  摘要：

  4-Ferrocenyltriazole, 4-(4-ferrocenylphenyl)triazole, 4-ferrocenyltetrazole, and 4-(4-ferrocenylphenyl)tetrazole have been prepared. Redox potentials and decomposition temperatures were evaluated and all the compounds were crystallographically characterized; in most cases, weak intermolecular (CHN)-N-... hydrogen bonds ((HN)-N-... dist. = 2.3-2.5 angstrom) were formed between the azole moieties. Two polymorphs were found for 4-ferrocenyltetrazole, formed with either (CHN)-N-... or pi-pi interactions. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.08.020