N-(4-甲氧基苯乙基)-1,1,1-三甲基硅烷胺 | 68595-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: N-(4-甲氧基苯乙基)-1,1,1-三甲基硅烷胺
• 英文名称: 4-Methoxyphenaethylamin(TMS)
• 英文别名: N-trimethylsilyl-p-methoxy-beta-phenylethylamine；2-(4-methoxyphenyl)-N-trimethylsilylethanamine
• CAS: 68595-56-2
• 化学式: C₁₂H₂₁NOSi
• 分子量: 223.39
• InChiKey: GNVXBBNCEDJGMG-UHFFFAOYSA-N

物化性质

• 沸点：
  271.5±23.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  光气 、 N-(4-甲氧基苯乙基)-1,1,1-三甲基硅烷胺 以 甲苯 为溶剂， 以76.1%的产率得到异氰酸4-甲氧基苯乙酯
  参考文献：
  名称：

  Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates

  摘要：

  Silylation of a series of aliphatic, carbocyclic, and fatty-aromatic amines gave the corresponding silyl derivatives whose yield depended on the electronic and steric structure of the substrate and the nature of the silylating agent. The yield of isocyanates obtained by phosgenation of the silyl derivatives under mild conditions decreased in going from aliphatic amines to benzylamines and rose as the length of the alkyl chain in fatty-aromatic amines extended. The most convenient procedure for the synthesis of low-boiling alkyl isocyanates was found to be based on the transformation of amines or ammonium salts into silyl or silyl silyl-carabamates. followed by pyrolysis of the latter in the presence of trichloro(phenyl)silane.

  DOI：

  10.1134/s1070363206030182
• 作为产物：
  描述：

  2-(4-甲氧苯基)乙胺 、 六甲基二硅氮烷 在 硫酸 作用下， 反应 2.0h， 以94.3%的产率得到N-(4-甲氧基苯乙基)-1,1,1-三甲基硅烷胺
  参考文献：
  名称：

  Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates

  摘要：

  Silylation of a series of aliphatic, carbocyclic, and fatty-aromatic amines gave the corresponding silyl derivatives whose yield depended on the electronic and steric structure of the substrate and the nature of the silylating agent. The yield of isocyanates obtained by phosgenation of the silyl derivatives under mild conditions decreased in going from aliphatic amines to benzylamines and rose as the length of the alkyl chain in fatty-aromatic amines extended. The most convenient procedure for the synthesis of low-boiling alkyl isocyanates was found to be based on the transformation of amines or ammonium salts into silyl or silyl silyl-carabamates. followed by pyrolysis of the latter in the presence of trichloro(phenyl)silane.

  DOI：

  10.1134/s1070363206030182

文献信息

• Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates
  作者：A. V. Lebedev、A. B. Lebedeva、V. D. Sheludyakov、S. N. Ovcharuk、E. A. Kovaleva、O. L. Ustinova

  DOI：10.1134/s1070363206030182

  日期：2006.3

  Silylation of a series of aliphatic, carbocyclic, and fatty-aromatic amines gave the corresponding silyl derivatives whose yield depended on the electronic and steric structure of the substrate and the nature of the silylating agent. The yield of isocyanates obtained by phosgenation of the silyl derivatives under mild conditions decreased in going from aliphatic amines to benzylamines and rose as the length of the alkyl chain in fatty-aromatic amines extended. The most convenient procedure for the synthesis of low-boiling alkyl isocyanates was found to be based on the transformation of amines or ammonium salts into silyl or silyl silyl-carabamates. followed by pyrolysis of the latter in the presence of trichloro(phenyl)silane.