5-propyl-3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodecane | 142991-46-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-propyl-3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodecane
• 英文别名: 3,3,10,10-tetramethyl-5-propyl-1,2,5,8-dithiadiazecane
• CAS: 142991-46-6
• 化学式: C₁₃H₂₈N₂S₂
• 分子量: 276.511
• InChiKey: LZRVXZNSLAEPBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.24
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.27
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  6,6,9,9-tetramethylhexahydroimidazo[2,1-d][1,2,5]dithiazepine 、 丙酸 在 sodium tetrahydroborate 作用下， 反应 2.0h， 以77%的产率得到5-propyl-3,3,10,10-tetramethyl-1,2-dithia-5,8-diazacyclodecane
  参考文献：
  名称：

  Borohydride reduction of imidazolidino[1,2-d]dithiadiazepines

  摘要：

  Imidazolidino[1,2-d]dithiadiazepines are converted to he ten-membered saturated heterocycles via borohydride reduction in acidic media or using "in situ" generated borane. Reductive alkylation in acetic or propionic acid as a solvent represents a significant side reaction. Relatively stable boron compounds are identified as intermediates which yield the saturated heterocycles upon acidic hydrolysis.

  DOI：

  10.1016/s0040-4020(01)81573-8

文献信息

• Borohydride reduction of imidazolidino[1,2-d]dithiadiazepines
  作者：Nicholas Bodor、Ernö Koltai、László Prókai

  DOI：10.1016/s0040-4020(01)81573-8

  日期：1992.6

  Imidazolidino[1,2-d]dithiadiazepines are converted to he ten-membered saturated heterocycles via borohydride reduction in acidic media or using "in situ" generated borane. Reductive alkylation in acetic or propionic acid as a solvent represents a significant side reaction. Relatively stable boron compounds are identified as intermediates which yield the saturated heterocycles upon acidic hydrolysis.