diethyl 2-[bis(sulfanyl)methylidene]propanedioate | 53598-85-9

• 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: diethyl 2-[bis(sulfanyl)methylidene]propanedioate
• CAS: 53598-85-9
• 化学式: C₈H₁₂O₄S₂
• 分子量: 236.313
• InChiKey: IGEJVLZHRMDOHN-UHFFFAOYSA-N

物化性质

• 沸点：
  282.4±40.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.18
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  二硫化碳 、 丙二酸二乙酯 在 sodium ethanolate 作用下， 以 二甲基亚砜 为溶剂， 生成 diethyl 2-[bis(sulfanyl)methylidene]propanedioate
  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

• 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.