N-cyclohexyl-Se-benzylselenocarbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-cyclohexyl-Se-benzylselenocarbamate
• 英文别名: Se-benzyl-N-cyclohexylselenocarbamate；Se-benzyl N-cyclohexylcarbamoselenoate
• 化学式: C₁₄H₁₉NOSe
• 分子量: 296.271
• InChiKey: RWFLYSZTBVYXLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  溴甲苯 、 环己基异氰酸酯 在 LiAlHSeH 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以57%的产率得到N-cyclohexyl-Se-benzylselenocarbamate
  参考文献：
  名称：

  Preparation and Characterization of N-Alkyl-Se-alkylselenocarbamates

  摘要：

  Several N-alkyl-Se-alkylselenocarbamates were prepared. The structure was confirmed by X-ray diffraction. N-Alkyl-Se-alkylselenocarbamates showed interesting NMR spectral features in C-13 and Se-77 NMR. They could be explained by the equilibrium between the major s-trans and the minor s-cis forms. This assumption was confirmed by the theoretical calculations.

  DOI：

  10.1021/jo010763k

文献信息

• One-pot synthesis of selenocarbamates from isocyanates and diselenides using the Zn/AlCl3 system
  作者：Barahman Movassagh、Mona Moradi

  DOI：10.1016/j.cclet.2013.01.050

  日期：2013.3

  Several N-alkyl/aryl-Se-alkyl/(aryl)selenocarbamates were prepared from various isocyanates and diselenides by reductive cleavage of SeSe bond with the Zn/AlCl3 system in dry acetonitrile at 80 °C.

  通过在80°C的干燥乙腈中用Zn / AlCl 3系统还原SeSe键，由各种异氰酸酯和二硒化物制备几种N-烷基/芳基-Se-烷基/（芳基）硒代氨基甲酸酯。
• Preparation and Characterization of <i>N</i>-Alkyl-<i>Se</i>-alkylselenocarbamates
  作者：Mamoru Koketsu、Masaru Ishida、Naotaka Takakura、Hideharu Ishihara

  DOI：10.1021/jo010763k

  日期：2002.1.1

  Several N-alkyl-Se-alkylselenocarbamates were prepared. The structure was confirmed by X-ray diffraction. N-Alkyl-Se-alkylselenocarbamates showed interesting NMR spectral features in C-13 and Se-77 NMR. They could be explained by the equilibrium between the major s-trans and the minor s-cis forms. This assumption was confirmed by the theoretical calculations.