(-)-1,2-bis(ethoxycarbonyl)-5-(3-(naphthalen-1-yl)thioureido)cyclohexan-4-ol | 1020263-07-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (-)-1,2-bis(ethoxycarbonyl)-5-(3-(naphthalen-1-yl)thioureido)cyclohexan-4-ol
• 英文别名: diethyl (1S,2S,4S,5S)-4-hydroxy-5-(naphthalen-1-ylcarbamothioylamino)cyclohexane-1,2-dicarboxylate
• CAS: 1020263-07-3
• 化学式: C₂₃H₂₈N₂O₅S
• 分子量: 444.552
• InChiKey: ONSFMNLBAOOBII-ZULIPRJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  trans-transoid-trans-5-amino-1,2-bis(ethoxycarbonyl)-4-hydroxycyclohexane 、 1-萘异硫氰酸酯 以 四氢呋喃 为溶剂， 反应 16.0h， 以93%的产率得到(-)-1,2-bis(ethoxycarbonyl)-5-(3-(naphthalen-1-yl)thioureido)cyclohexan-4-ol
  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