Se-methyl-N-(4-methylphenyl)selenocarbamate

• 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: Se-methyl-N-(4-methylphenyl)selenocarbamate
• 英文别名: Se-methyl N-(4-methylphenyl)carbamoselenoate
• 化学式: C₉H₁₁NOSe
• 分子量: 228.152
• InChiKey: KNTFNQQKSJNABD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  对甲苯异氰酸酯 、 碘甲烷 在 LiAlHSeH 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以66%的产率得到Se-methyl-N-(4-methylphenyl)selenocarbamate
  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

• 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.