3,4-Dimethoxyphenaethylamin(TMS) | 35424-92-1

• 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: 3,4-Dimethoxyphenaethylamin(TMS)
• 英文别名: n-[2-(3,4-Dimethoxyphenyl)ethyl]-1,1,1-trimethylsilanamine；2-(3,4-dimethoxyphenyl)-N-trimethylsilylethanamine
• CAS: 35424-92-1
• 化学式: C₁₃H₂₃NO₂Si
• 分子量: 253.417
• InChiKey: XTOHFXVDOGRZMG-UHFFFAOYSA-N

物化性质

• 沸点：
  301.3±32.0 °C(Predicted)
• 密度：
  0.958±0.06 g/cm3(Predicted)
• 保留指数：
  1721.5

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  光气 、 3,4-Dimethoxyphenaethylamin(TMS) 以 甲苯 为溶剂， 以77.3%的产率得到3,4-二甲氧基苯乙基异氰酸酯
  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：

  N,O-双三甲硅基乙酰胺 、 3,4-二甲氧基苯乙胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 3,4-Dimethoxyphenaethylamin(TMS)
  参考文献：
  名称：

  The Application of High-Throughput Synthesis And Purification To The Preparation Of Ethanolamines

  摘要：

  A 48 compound library of structurally diverse ethanolamines was prepared using a parallel synthesis approach. The synthetic paradigm employed a solution phase epoxide-opening reaction followed by rapid purification by ion exchange chromatography to yield products with near-analytical purity. An array of epoxides and primary amines, arranged in an 8x6 matrix, were reacted in the presence of an in situ silylating agent to form 48 individual compounds with an average yield of 75% and an average purity of 92.3%. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01421-4