1-cyclohexyl-3-phenyl-4-thio-1,5-diaza-spiro[5.5]undec-2-ene | 1192582-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-cyclohexyl-3-phenyl-4-thio-1,5-diaza-spiro[5.5]undec-2-ene
• 英文别名: 5-Cyclohexyl-3-phenyl-1,5-diazaspiro[5.5]undec-3-ene-2-thione
• CAS: 1192582-21-0
• 化学式: C₂₁H₂₈N₂S
• 分子量: 340.533
• InChiKey: LWVAAFZOKYEDKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  47.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯乙炔 、 N,N'-二环己基碳二亚胺 在 正丁基锂 、 sulfur 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 以74%的产率得到1-cyclohexyl-3-phenyl-4-thio-1,5-diaza-spiro[5.5]undec-2-ene
  参考文献：
  名称：

  Efficient One-Pot Synthesis of 2,3-Dihydropyrimidinthiones via Multicomponent Coupling of Terminal Alkynes, Elemental Sulfur, and Carbodiimides

  摘要：

  An organolithium-promoted multicomponent reaction (MCR) involving readily available terminal alkynes, elemental sulfur, and carbodiimides has been achieved for the first time. This MCR offers an atom-economic route to 2,3-dihydropyrimidinthiones which are difficult to access by other means via an interesting and useful C=N double bond cleavage and an sp(3) C-H bond functionalization of carbodiimides.

  DOI：

  10.1021/ja9069419

文献信息

• Efficient One-Pot Synthesis of 2,3-Dihydropyrimidinthiones via Multicomponent Coupling of Terminal Alkynes, Elemental Sulfur, and Carbodiimides
  作者：Zitao Wang、Yang Wang、Wen-Xiong Zhang、Zhaomin Hou、Zhenfeng Xi

  DOI：10.1021/ja9069419

  日期：2009.10.28

  An organolithium-promoted multicomponent reaction (MCR) involving readily available terminal alkynes, elemental sulfur, and carbodiimides has been achieved for the first time. This MCR offers an atom-economic route to 2,3-dihydropyrimidinthiones which are difficult to access by other means via an interesting and useful C=N double bond cleavage and an sp(3) C-H bond functionalization of carbodiimides.