1,3-Bis(1,3-dithian-2-yl)benzol | 41047-90-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二噻烷
• 英文名称: 1,3-Bis(1,3-dithian-2-yl)benzol
• 英文别名: 2,2'-m-phenylene-bis-[1,3]dithiane；2-[3-(1,3-Dithian-2-yl)phenyl]-1,3-dithiane
• CAS: 41047-90-9
• 化学式: C₁₄H₁₈S₄
• 分子量: 314.561
• InChiKey: ROGFTVYTOLBNFE-UHFFFAOYSA-N

物化性质

• 沸点：
  496.6±45.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-Bis(1,3-dithian-2-yl)benzol 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 水 、 乙酸酐 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 8.5h， 生成 (E)-2-[3-[3-[2-(7-氯-2-喹啉基)乙烯基]苯基]-3-氧代丙基]苯甲酸甲酯
  参考文献：
  名称：

  Practical synthesis of methyl (E)-2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate, a key intermediate of Montelukast

  摘要：

  A novel and practical synthetic route is presented for the preparation of methyl-(E)-2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate, the key intermediate of Montelukast, a leukotriene antagonist. The main diarylpropane framework was prepared via a polarity conversation reaction resulting in an acyl anion equivalent followed by a nucleophilic substitution reaction. The overall yield of this approach was 61%. This method is simple for operation and suitable for industrial production. (C) 2012 Wen Sheng Xiang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.03.023
• 作为产物：
  描述：

  1,3-丙二硫醇 、 间苯二甲醛 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以99%的产率得到1,3-Bis(1,3-dithian-2-yl)benzol
  参考文献：
  名称：

  Practical synthesis of methyl (E)-2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate, a key intermediate of Montelukast

  摘要：

  A novel and practical synthetic route is presented for the preparation of methyl-(E)-2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate, the key intermediate of Montelukast, a leukotriene antagonist. The main diarylpropane framework was prepared via a polarity conversation reaction resulting in an acyl anion equivalent followed by a nucleophilic substitution reaction. The overall yield of this approach was 61%. This method is simple for operation and suitable for industrial production. (C) 2012 Wen Sheng Xiang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2012.03.023

文献信息

• Schulz, Juergen; Nieger, Martin; Voegtle, Fritz, Chemische Berichte, 1991, vol. 124, # 12, p. 2797 - 2810
  作者：Schulz, Juergen、Nieger, Martin、Voegtle, Fritz

  DOI：——

  日期：——
• Practical synthesis of methyl (E)-2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate, a key intermediate of Montelukast
  作者：Liang He、Yang Hui Guo、Ya Ping Wang、Xiang Jing Wang、Ji Zhang、Wen Sheng Xiang

  DOI：10.1016/j.cclet.2012.03.023

  日期：2012.5

  A novel and practical synthetic route is presented for the preparation of methyl-(E)-2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-oxopropyl)benzoate, the key intermediate of Montelukast, a leukotriene antagonist. The main diarylpropane framework was prepared via a polarity conversation reaction resulting in an acyl anion equivalent followed by a nucleophilic substitution reaction. The overall yield of this approach was 61%. This method is simple for operation and suitable for industrial production. (C) 2012 Wen Sheng Xiang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.