2-Cyclohexylimino-3-isopropyl-5-methyl-4-thiazolidinon | 70400-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-Cyclohexylimino-3-isopropyl-5-methyl-4-thiazolidinon
• 英文别名: 3-cyclohexyl-2-cyclohexylimino-5-methyl-thiazolidin-4-one；3-Cyclohexyl-2-cyclohexylimino-5-methyl-1,3-thiazolidin-4-one
• CAS: 70400-90-7
• 化学式: C₁₆H₂₆N₂OS
• 分子量: 294.461
• InChiKey: NTSRLDNJJYXMIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Cyclohexylimino-3-isopropyl-5-methyl-4-thiazolidinon 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 3-Cyclohexyl-5-methyl-2,4-thiazolidindion
  参考文献：
  名称：

  Monforte,P. et al., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 341 - 345

  摘要：

  DOI：
• 作为产物：
  描述：

  2-巯基丙酸甲酯 、 N,N'-二环己基碳二亚胺 在 copper(l) chloride 作用下， 反应 37.0h， 以33.1%的产率得到2-Cyclohexylimino-3-isopropyl-5-methyl-4-thiazolidinon
  参考文献：
  名称：

  An Efficient Synthesis of 3-Alkyl-2-alkyliminooxazolidin-4-one via a Domino Reaction

  摘要：

  Abstract3‐Alkyl‐2‐alkyliminooxazolidin‐4‐ones were prepared from a copper‐catalyzed domino intermolecular nucleophilic addition of α‐hydroxy‐(or mecapto) carboxylic acid ester to carbodiimide and a followed nucleophilic substitution of the formed amino group to carboxylic acid ester. The reactions could be performed under convenient conditions and good yields were achieved in most cases.

  DOI：

  10.1002/cjoc.201190082

文献信息

• Monforte,P. et al., Journal of Heterocyclic Chemistry, 1979, vol. 16, p. 341 - 345
  作者：Monforte,P. et al.

  DOI：——

  日期：——
• An Efficient Synthesis of 3-Alkyl-2-alkyliminooxazolidin-4-one via a Domino Reaction
  作者：Yongwei Liu、Zhengning Li、Lan Jiang、Aijun Zheng

  DOI：10.1002/cjoc.201190082

  日期：2011.2

  Abstract3‐Alkyl‐2‐alkyliminooxazolidin‐4‐ones were prepared from a copper‐catalyzed domino intermolecular nucleophilic addition of α‐hydroxy‐(or mecapto) carboxylic acid ester to carbodiimide and a followed nucleophilic substitution of the formed amino group to carboxylic acid ester. The reactions could be performed under convenient conditions and good yields were achieved in most cases.