N-Propyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)pyrrolin | 153860-53-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: N-Propyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)pyrrolin
• CAS: 153860-53-8
• 化学式: C₁₄H₃₃NO₂Si₃
• 分子量: 331.678
• InChiKey: FJYHDGGNPCITEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.95
• 重原子数：
  20.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1,4-丁磺酸内酯 、 N-Propyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)pyrrolin 以 丙酮 为溶剂， 反应 12.0h， 以66%的产率得到N-Propyl-N-4-(sulfonato)butyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)pyrrolinium-sulfobetain
  参考文献：
  名称：

  Siloxanylpyrroline und -pyrrolinium Derivate. Synthese und Charakterisierung

  摘要：

  The synthesis of the title compounds was carried out by hydrosilylation of 1,4-dichlorobut-2-yne (1) with defined siloxanes (2a-c) using a platinum catalyst, followed by the reaction of the received 1,4-dichloro-2-siloxanyl-but-2-enes (3a-c) with primary, secondary and tertiary amines, respectively. N-Alkyl-3-(siloxanyl)pyrrolines (4,5,6) were reacted with alkyl bromides and sultones, respectively. The products were characterized by elemental analysis and C-13-n.m.r.-spectroscopy and posses remarkable surface activity. The X-ray crystal structure of N-ethyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl) pyrroline hydrochloride was determined.

  DOI：

  10.1002/prac.19943360607
• 作为产物：
  描述：

  正丙胺 、 1,4-Dichlor-2-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)but-2-en 以 乙醚 为溶剂， 反应 6.0h， 以60%的产率得到N-Propyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)pyrrolin
  参考文献：
  名称：

  Siloxanylpyrroline und -pyrrolinium Derivate. Synthese und Charakterisierung

  摘要：

  The synthesis of the title compounds was carried out by hydrosilylation of 1,4-dichlorobut-2-yne (1) with defined siloxanes (2a-c) using a platinum catalyst, followed by the reaction of the received 1,4-dichloro-2-siloxanyl-but-2-enes (3a-c) with primary, secondary and tertiary amines, respectively. N-Alkyl-3-(siloxanyl)pyrrolines (4,5,6) were reacted with alkyl bromides and sultones, respectively. The products were characterized by elemental analysis and C-13-n.m.r.-spectroscopy and posses remarkable surface activity. The X-ray crystal structure of N-ethyl-3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl) pyrroline hydrochloride was determined.

  DOI：

  10.1002/prac.19943360607