benzyl 2-((3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)hydrazine-1-carbodithioate | 1070968-33-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: benzyl 2-((3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)hydrazine-1-carbodithioate
• CAS: 1070968-33-0
• 化学式: C₂₇H₃₈N₂OS₂
• 分子量: 470.744
• InChiKey: HEKZMMUIJGNLSW-PTBUDQQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  44.62
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  benzyl 2-((3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)hydrazine-1-carbodithioate 、 ethyl (phenylhydrazono)chloroacetate 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Reaction of Hydrazonoyl Halides 55¹: Synthesis of 2,3-Dihydro[1,3,4]-Thiadiazoles Containing Steroid Moiety

  摘要：

  2,3-Dihydro-1,3,4-thiadiazolylsteroids were synthesized from the appropriate hydrazonoyl halides and alkyl carbodithioates containing steroid moiety. The newly-synthesized compounds were elucidated by elemental analysis, spectral data, and alternative synthetic route whenever possible.

  DOI：

  10.1080/10426500701521811
• 作为产物：
  描述：

  S-benzyldithiocarbazate 、 雄酮 以 丙醇 为溶剂， 反应 2.0h， 以82%的产率得到benzyl 2-((3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)hydrazine-1-carbodithioate
  参考文献：
  名称：

  Reaction of Hydrazonoyl Halides 55¹: Synthesis of 2,3-Dihydro[1,3,4]-Thiadiazoles Containing Steroid Moiety

  摘要：

  2,3-Dihydro-1,3,4-thiadiazolylsteroids were synthesized from the appropriate hydrazonoyl halides and alkyl carbodithioates containing steroid moiety. The newly-synthesized compounds were elucidated by elemental analysis, spectral data, and alternative synthetic route whenever possible.

  DOI：

  10.1080/10426500701521811