2-Methyl-3-oxobutanedithioic acid | 151323-89-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-3-oxobutanedithioic acid
• CAS: 151323-89-6
• 化学式: C₅H₈OS₂
• 分子量: 148.25
• InChiKey: HXDSWYSRFMVCHP-UHFFFAOYSA-N

物化性质

• 沸点：
  204.9±42.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-3-oxobutanedithioic acid 在 咪唑 、 N-氯代丁二酰亚胺 、 双(三甲基硫化硅) 作用下， 生成 4,5-dimethyl-1,2-dithiole-3-thione
  参考文献：
  名称：

  Synthesis of 3H-1,2-dithiole-3-thiones by a novel oxidative cyclization

  摘要：

  Reaction of 3-oxo dithioic acids with a combination of hexamethyldisilathiane and N-chlorosuccinimide in the presence of a catalytic amount of imidazole brings about oxidative ring closure to 3H-1,2-dithiole-3-thiones. Yields vary from poor to good.

  DOI：

  10.1016/s0040-4039(00)79295-1
• 作为产物：
  描述：

  二硫化碳 、 丁酮 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 1.0h， 生成 2-Methyl-3-oxobutanedithioic acid
  参考文献：
  名称：

  Synthesis of 3H-1,2-dithiole-3-thiones by a novel oxidative cyclization

  摘要：

  Reaction of 3-oxo dithioic acids with a combination of hexamethyldisilathiane and N-chlorosuccinimide in the presence of a catalytic amount of imidazole brings about oxidative ring closure to 3H-1,2-dithiole-3-thiones. Yields vary from poor to good.

  DOI：

  10.1016/s0040-4039(00)79295-1

文献信息

• Synthesis of 3H-1,2-dithiole-3-thiones by a novel oxidative cyclization
  作者：Thomas J. Curphey、H.Howard Joyner

  DOI：10.1016/s0040-4039(00)79295-1

  日期：1993.11

  Reaction of 3-oxo dithioic acids with a combination of hexamethyldisilathiane and N-chlorosuccinimide in the presence of a catalytic amount of imidazole brings about oxidative ring closure to 3H-1,2-dithiole-3-thiones. Yields vary from poor to good.
• A new synthesis of 3H-1,2-dithiole-3-thiones
  作者：Thomas J. Curphey、H.Howard Joyner

  DOI：10.1016/s0040-4039(00)79205-7

  日期：1993.6

  Exposure of 3-oxo dithioic acids to a solution of polysulfanes in liquid hydrogen sulfide gives 3H-1,2-dithiole-3-thiones in yields varying from poor to excellent. The method tolerates the presence of functional groups which are problematical for other methods of synthesis.