2,13-Dithia-23,26,27,30-tetrazaheptacyclo[12.8.4.43,12.017,25.020,24.06,29.09,28]triaconta-1(23),3(30),4,6(29),7,9(28),10,12(27),14(26),15,17(25),18,20(24),21-tetradecaene;hydrochloride | 1169844-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2,13-Dithia-23,26,27,30-tetrazaheptacyclo[12.8.4.43,12.017,25.020,24.06,29.09,28]triaconta-1(23),3(30),4,6(29),7,9(28),10,12(27),14(26),15,17(25),18,20(24),21-tetradecaene;hydrochloride
• CAS: 1169844-86-3
• 化学式: C₂₄H₁₂N₄S₂*ClH
• 分子量: 456.979
• InChiKey: JUQFYDUNLRSXTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.29
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,9-二氯-1,10-菲罗啉 、 1,10-phenanthroline-2,9-dithiol 以 二苯醚 为溶剂， 反应 2.5h， 以94%的产率得到2,13-Dithia-23,26,27,30-tetrazaheptacyclo[12.8.4.43,12.017,25.020,24.06,29.09,28]triaconta-1(23),3(30),4,6(29),7,9(28),10,12(27),14(26),15,17(25),18,20(24),21-tetradecaene;hydrochloride
  参考文献：
  名称：

  Displacement reactions of 2-chloro- and 2,9-dichloro-1,10-phenanthroline: synthesis of a sulfur-bridged bis-1,10-phenanthroline macrocycle and a 2,2′-amino-substituted-bis-1,10-phenanthroline

  摘要：

  The synthesis and structural assignments of 9-chloro-1,1-phenanthroline-2(1H)-thione and 1,10-dihydro-1,10-phenanthroline-2,9-dithione have been accomplished. The sulfur-bridged bis-1,10-phenanthroline macrocycle was readily prepared by heating the thione or equimolar amounts of the dithione and 2,9-dichloro-1,10-phenanthroline in diphenyl ether. Displacements of 2-chloro- or 2,9-dichloro-1,10-phenanthroline with N,N-dimethylethylenediamine afforded the corresponding airline and diamino analogues. Am amino-substituted-2,2'-bis-1,10-phenanthroline has been prepared. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.138

文献信息

• Displacement reactions of 2-chloro- and 2,9-dichloro-1,10-phenanthroline: synthesis of a sulfur-bridged bis-1,10-phenanthroline macrocycle and a 2,2′-amino-substituted-bis-1,10-phenanthroline
  作者：A. Paul Krapcho、Silvia Sparapani、Amber Leenstra、Joshua D. Seitz

  DOI：10.1016/j.tetlet.2009.01.138

  日期：2009.7

  The synthesis and structural assignments of 9-chloro-1,1-phenanthroline-2(1H)-thione and 1,10-dihydro-1,10-phenanthroline-2,9-dithione have been accomplished. The sulfur-bridged bis-1,10-phenanthroline macrocycle was readily prepared by heating the thione or equimolar amounts of the dithione and 2,9-dichloro-1,10-phenanthroline in diphenyl ether. Displacements of 2-chloro- or 2,9-dichloro-1,10-phenanthroline with N,N-dimethylethylenediamine afforded the corresponding airline and diamino analogues. Am amino-substituted-2,2'-bis-1,10-phenanthroline has been prepared. (C) 2009 Elsevier Ltd. All rights reserved.