5-amidino-tetrazole | 501357-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-amidino-tetrazole
• 英文别名: 1H-Tetrazole-5-carboximidamide；2H-tetrazole-5-carboximidamide
• CAS: 501357-01-3
• 化学式: C₂H₄N₆
• mdl: MFCD19213521
• 分子量: 112.094
• InChiKey: NEMCXWMKVAMXBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-amidino-tetrazole 在 氢氧化钾 作用下， 以 水 为溶剂， 以84%的产率得到potassium tetrazole-5-carboxamide salt
  参考文献：
  名称：

  Novel illustrations of the specific reactivity of 1,1-diamino-2,2-dinitroethene (DADNE) leading to new unexpected compounds

  摘要：

  1,7-Diamino-2,2-dinitroethene (DADNE) was further investigated and evaluated in oxidation and azidation reactions. DADNE gave new unexpected products as a result of its specific reactivity as previously observed. The X-ray structure determination was the key of success in this work enabling us to perfectly characterise the new products and argue about the reaction mechanisms as well. Once again, the nucleophilic gem-dinitrocarbon of DADNE seemed to be directly involved in these transformations. Attempts to change the regioselectivity were performed by modifying the experimental conditions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.11.031
• 作为产物：
  描述：

  2,2-二硝基-1,1-乙烯二胺 在 叠氮基三甲基硅烷 作用下， 以 二甲基亚砜 为溶剂， 以22%的产率得到5-amidino-tetrazole
  参考文献：
  名称：

  Novel illustrations of the specific reactivity of 1,1-diamino-2,2-dinitroethene (DADNE) leading to new unexpected compounds

  摘要：

  1,7-Diamino-2,2-dinitroethene (DADNE) was further investigated and evaluated in oxidation and azidation reactions. DADNE gave new unexpected products as a result of its specific reactivity as previously observed. The X-ray structure determination was the key of success in this work enabling us to perfectly characterise the new products and argue about the reaction mechanisms as well. Once again, the nucleophilic gem-dinitrocarbon of DADNE seemed to be directly involved in these transformations. Attempts to change the regioselectivity were performed by modifying the experimental conditions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.11.031