tetrahydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4(3H,6H)-dione | 33191-02-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tetrahydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4(3H,6H)-dione
• 英文别名: 1,4-Dioxo-2,3-diaza-chinolizidin；hexahydro-pyrido[1,2-d][1,2,4]triazine-1,4-dione；3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione
• CAS: 33191-02-5
• 化学式: C₇H₁₁N₃O₂
• 分子量: 169.183
• InChiKey: RQXFBIKUPDQDGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-哌啶甲酸乙酯 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 1.0h， 生成 tetrahydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4(3H,6H)-dione
  参考文献：
  名称：

  A Two-Step Synthesis of Hexahydropyrrolo-[1,2-d][1,2,4]triazine-1,4-dione and Related Compounds

  摘要：

  Reaction of tert-butyl 1-hydrazinecarboxylate with triphosgene and ethyl 2-pyrrolidinecarboxylate or related compounds, followed by the removal of the Boc-protecting group with gaseous hydrogen chloride in anhydrous acetic acid, yields hexahydropyrrolo [1,2-d][1,2,4]triazine-1,4-dione and related heterocycles.

  DOI：

  10.1081/scc-120016366

文献信息

• A Two-Step Synthesis of Hexahydropyrrolo-[1,2-d][1,2,4]triazine-1,4-dione and Related Compounds
  作者：Aleš Obreza、Uroš Urleb

  DOI：10.1081/scc-120016366

  日期：2003.1.4

  Reaction of tert-butyl 1-hydrazinecarboxylate with triphosgene and ethyl 2-pyrrolidinecarboxylate or related compounds, followed by the removal of the Boc-protecting group with gaseous hydrogen chloride in anhydrous acetic acid, yields hexahydropyrrolo [1,2-d][1,2,4]triazine-1,4-dione and related heterocycles.