3-[2-(4-fluorophenyl)-1,3-dithian-2-yl]propylamine | 839677-40-6

• 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-[2-(4-fluorophenyl)-1,3-dithian-2-yl]propylamine
• 英文别名: 3-[2-(4-Fluorophenyl)-1,3-dithian-2-yl]propan-1-amine；3-[2-(4-fluorophenyl)-1,3-dithian-2-yl]propan-1-amine
• CAS: 839677-40-6
• 化学式: C₁₃H₁₈FNS₂
• 分子量: 271.423
• InChiKey: BPMAHTZILLSZDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  76.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[2-(4-fluorophenyl)-1,3-dithian-2-yl]propylamine 、 bis(2-bromoethyl)bis(4-chlorophenyl)silane 在 三乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 40.0h， 生成 4,4-bis(4-chlorophenyl)-1-{3-[2-(4-fluorophenyl)-1,3-dithian-2-yl]propyl}-4-silapiperidine
  参考文献：
  名称：

  4-Silapiperidine and 4-silapiperidinium derivatives: syntheses and structural characterization

  摘要：

  A series of novel 4-silapiperidine and 4-silapiperidinium derivatives, with two silicon-bound aryl groups and various N-organyl groups, have been synthesized and structurally characterized (solution H-1, C-13, F-19, and Si-29 NMR spectroscopy; eight crystal structure analyses). These synthetic and structural investigations provide the basis for the development of novel silicon-based drugs containing, a 4-silapiperidine or 4-silapiperidinium skeleton. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.08.023
• 作为产物：
  描述：

  4-氯-4'-氟苯丁酮 在 盐酸 、 一水合肼 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醚 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 147.0h， 生成 3-[2-(4-fluorophenyl)-1,3-dithian-2-yl]propylamine
  参考文献：
  名称：

  4-Silapiperidine and 4-silapiperidinium derivatives: syntheses and structural characterization

  摘要：

  A series of novel 4-silapiperidine and 4-silapiperidinium derivatives, with two silicon-bound aryl groups and various N-organyl groups, have been synthesized and structurally characterized (solution H-1, C-13, F-19, and Si-29 NMR spectroscopy; eight crystal structure analyses). These synthetic and structural investigations provide the basis for the development of novel silicon-based drugs containing, a 4-silapiperidine or 4-silapiperidinium skeleton. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.08.023

文献信息

• 4-Silapiperidine and 4-silapiperidinium derivatives: syntheses and structural characterization
  作者：Tilman Heinrich、Christian Burschka、Martin Penka、Brigitte Wagner、Reinhold Tacke

  DOI：10.1016/j.jorganchem.2004.08.023

  日期：2005.1

  A series of novel 4-silapiperidine and 4-silapiperidinium derivatives, with two silicon-bound aryl groups and various N-organyl groups, have been synthesized and structurally characterized (solution H-1, C-13, F-19, and Si-29 NMR spectroscopy; eight crystal structure analyses). These synthetic and structural investigations provide the basis for the development of novel silicon-based drugs containing, a 4-silapiperidine or 4-silapiperidinium skeleton. (C) 2004 Elsevier B.V. All rights reserved.