2,9-N,N'-bis(2-nitrobenzenesulfonyl)-6,13-N'',N'''-bistosyl-2,6,9,13-tetraaza[14](1,5)benzenecyclophane

• 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: 2,9-N,N'-bis(2-nitrobenzenesulfonyl)-6,13-N'',N'''-bistosyl-2,6,9,13-tetraaza[14](1,5)benzenecyclophane
• 英文别名: 3,10-Bis-(4-methylphenyl)sulfonyl-7,14-bis[(2-nitrophenyl)sulfonyl]-3,7,10,14-tetrazabicyclo[14.3.1]icosa-1(20),16,18-triene；3,10-bis-(4-methylphenyl)sulfonyl-7,14-bis[(2-nitrophenyl)sulfonyl]-3,7,10,14-tetrazabicyclo[14.3.1]icosa-1(20),16,18-triene
• 化学式: C₄₂H₄₆N₆O₁₂S₄
• 分子量: 955.124
• InChiKey: KYHTYVPIEWMUIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  64
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  275
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  1-N-cyanoethyl-4-N'-tosyl-ethylenediamine 在 吡啶 、 sodium tetrahydroborate 、 sodium hydride 、 potassium carbonate 、 三乙胺 、 三氟乙酸 、 cobalt(II) chloride 作用下， 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 生成 2,9-N,N'-bis(2-nitrobenzenesulfonyl)-6,13-N'',N'''-bistosyl-2,6,9,13-tetraaza[14](1,5)benzenecyclophane
  参考文献：
  名称：

  Total Synthesis of Saturated and Unsaturated di-trans-N-substituted Cyclam-based Macrocycles Through a Versatile Intermediate

  摘要：

  A total synthesis of di-trans-N-substituted cyclam-type macrocycles through a versatile intermediate is described for the first time. This synthesis uses readily available low-cost commercial reagents. This synthesis was designed in such a way that the products and some intermediates could be selectively deprotected providing versatility both during the synthesis and for the utility of the final product. Thus, it should be possible to form cryptand molecules with trans bridges with good selectivity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00382-3

文献信息

• Total Synthesis of Saturated and Unsaturated di-trans-N-substituted Cyclam-based Macrocycles Through a Versatile Intermediate
  作者：M.Teresa Barros、Fernando Siñeriz

  DOI：10.1016/s0040-4020(00)00382-3

  日期：2000.6

  A total synthesis of di-trans-N-substituted cyclam-type macrocycles through a versatile intermediate is described for the first time. This synthesis uses readily available low-cost commercial reagents. This synthesis was designed in such a way that the products and some intermediates could be selectively deprotected providing versatility both during the synthesis and for the utility of the final product. Thus, it should be possible to form cryptand molecules with trans bridges with good selectivity. (C) 2000 Elsevier Science Ltd. All rights reserved.