Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester | 169141-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester
• 英文别名: diethyl 2-(1,3-diazinan-2-ylidene)propanedioate
• CAS: 169141-89-3
• 化学式: C₁₁H₁₈N₂O₄
• 分子量: 242.275
• InChiKey: NKTTVFSQCNCCPG-UHFFFAOYSA-N

物化性质

• 沸点：
  330.7±42.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester 、 异氰酸乙酯 生成 2,8-Diethyl-5,6-dihydro-4H-2,3a,6a,8-tetraaza-phenalene-1,3,7,9-tetraone
  参考文献：
  名称：

  Tetraazaacenaphthene, tetraazaphenalene and 1,3,4-thiadiazole derivatives as potential leishmanicides

  摘要：

  Synthesis and leishmanicidal activity of 1,3-dithiolanes (2a,b), 1,3-dithiane (2c), tetraazaacenaphthene (4a-h) and tetraazaphenalene imidazolidin-2-ylidene (5a,6a,b) and hexahydropyrimidin-2-ylidene (5b) derivatives are described. Some of the screened compounds have demonstrated significant leishmanicidal activity in in vitro and in vivo evaluations. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00086-3
• 作为产物：
  描述：

  1,3-丙二胺 、 diethyl 2-[bis(sulfanyl)methylidene]propanedioate 以 乙醇 为溶剂， 生成 Propanedioic acid, (tetrahydro-2(1H)-pyrimidinylidene)-, diethyl ester
  参考文献：
  名称：

  Tetraazaacenaphthene, tetraazaphenalene and 1,3,4-thiadiazole derivatives as potential leishmanicides

  摘要：

  Synthesis and leishmanicidal activity of 1,3-dithiolanes (2a,b), 1,3-dithiane (2c), tetraazaacenaphthene (4a-h) and tetraazaphenalene imidazolidin-2-ylidene (5a,6a,b) and hexahydropyrimidin-2-ylidene (5b) derivatives are described. Some of the screened compounds have demonstrated significant leishmanicidal activity in in vitro and in vivo evaluations. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00086-3

文献信息

• A Convenient Synthesis and Hepatoprotective Activity of Imidazo[1,2- c ]pyrimido[5,4- e ]pyrimidine, Tetraazaacenaphthene and Tetraazaphenalene from Cyclic Ketene Aminals Through Tandem Addition-Cyclization Reactions ‡ ‡CDRI communication number 5986.
  作者：Vishnu J Ram、Atul Goel、Sanjay Sarkhel、Prakas R Maulik

  DOI：10.1016/s0968-0896(01)00423-0

  日期：2002.5

  A novel one-pot synthesis of imidazo[1,2-c]pyrimido[5,4-e]pyrimidinones (2), tetraazaacenaphthene-3,6-diones (4), tetarazaphenalene-1,7-dione (4d) is delineated from the reaction of cyclic ketene aminal (1) and alkyl or aryl isothiocyanate through tandem addition-cyclization reactions. However, reaction of ketene aminal (1a) with alkyl isothiocyanate only yielded angularly cyclized product 5 which

  一种新型的一锅合成的咪唑并[1,2-c]嘧啶基[5,4-e]嘧啶酮（2），四氮杂ena烯-3,6-二酮（4），四氮杂萘-1,7-二酮（4d）通过串联加成-环化反应描述了环状烯酮缩醛（1）与异硫氰酸烷基酯或芳基异氰酸酯的反应。然而，乙烯酮缩醛（1a）与异硫氰酸烷基酯的反应仅产生成角度的环化产物5，该产物没有进一步反应生成6。通过单晶X射线衍射分析确定了2c和4d的结构，该结构证明了各种相互之间的网络。 -和分子内相互作用，负责结晶状态下分子的稳定性和堆积。筛选了某些化合物（2a--h）的肝保护活性，但仅发现2a最有效。
• Tetraazaacenaphthene, tetraazaphenalene and 1,3,4-thiadiazole derivatives as potential leishmanicides
  作者：V.J. Ram、A. Goel、M. Kandpal、N. Mittal、N. Goyal、B.L. Tekwani、P.Y. Guru、A.K. Rastogi

  DOI：10.1016/s0960-894x(97)00086-3

  日期：1997.3

  Synthesis and leishmanicidal activity of 1,3-dithiolanes (2a,b), 1,3-dithiane (2c), tetraazaacenaphthene (4a-h) and tetraazaphenalene imidazolidin-2-ylidene (5a,6a,b) and hexahydropyrimidin-2-ylidene (5b) derivatives are described. Some of the screened compounds have demonstrated significant leishmanicidal activity in in vitro and in vivo evaluations. (C) 1997 Elsevier Science Ltd.