(+)-1,2-bis(ethoxycarbonyl)-4,5-bis(3-(naphthalen-1-yl)thioureido)cyclohexane | 1020263-05-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (+)-1,2-bis(ethoxycarbonyl)-4,5-bis(3-(naphthalen-1-yl)thioureido)cyclohexane
• 英文别名: diethyl (1S,2S,4S,5S)-4,5-bis(naphthalen-1-ylcarbamothioylamino)cyclohexane-1,2-dicarboxylate
• CAS: 1020263-05-1
• 化学式: C₃₄H₃₆N₄O₄S₂
• 分子量: 628.816
• InChiKey: DQNMGXSDEBQPFO-ATACATFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  165
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (+)-1,2-bis(ethoxycarbonyl)-4,5-bis(3-(naphthalen-1-yl)thioureido)cyclohexane 、 tetramethylammonium (-)-camphorate 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Enantioselective sensing of dicarboxylates. Influence of the stoichiometry of the complexes on the sensing mechanism

  摘要：

  Two new cyclohexane-based thiourea chiral ligands have been synthesized in their enantiomerically pure forms. Both the ability of these ligands in the complexation of chiral dicarboxylates and their sensing properties have been studied. The influence of the stoichiometry of the formed complexes on the fluorescent properties of the systems has been established. The effect of additional substitution in the cyclohexyl moiety was considered by comparing the properties of the newly prepared ligands with those of similar compounds previously described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.06.005
• 作为产物：
  描述：

  4,5-diamino-1,2-bis(ethoxycarbonyl)cyclohexane 、 1-萘异硫氰酸酯 以 四氢呋喃 为溶剂， 反应 16.0h， 以86%的产率得到(+)-1,2-bis(ethoxycarbonyl)-4,5-bis(3-(naphthalen-1-yl)thioureido)cyclohexane
  参考文献：
  名称：

  Chiral cyclohexane based fluorescent chemosensors for enantiomeric discrimination of aspartate

  摘要：

  Some new chiral cyclohexyl based fluorescent anion receptors have been synthesized and their absolute configuration has been determined by using circular dichroism (CD). Complexation experiments have been carried out with several dicarboxylates, and stoichiometries and complexation constants for the corresponding complexes have been determined. The chiral discrimination ability of these ligands for chiral dicarboxylates has been studied and the best results have been obtained with TMA aspartate. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.085