1,1′-(3,7-di-tert-butyl-5,5-dioxo-5,10-dihydro-5λ⁶-phenothiazine-1,9-diyl)bis{3-[(1S)-1-phenylethyl]thiourea}

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 1,1′-(3,7-di-tert-butyl-5,5-dioxo-5,10-dihydro-5λ⁶-phenothiazine-1,9-diyl)bis{3-[(1S)-1-phenylethyl]thiourea}
• 英文别名: 1-[3,7-ditert-butyl-5,5-dioxo-9-[[(1S)-1-phenylethyl]carbamothioylamino]-10H-phenothiazin-1-yl]-3-[(1S)-1-phenylethyl]thiourea
• 化学式: C₃₈H₄₅N₅O₂S₃
• 分子量: 700.006
• InChiKey: FIWPQDMWZRTBGO-ZEQRLZLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  167
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,7-di-tert-butyl-10H-phenothiazine-1,9-diamine 5,5-dioxide 、 (S)-1-phenylethyl isothiocyanate 在 吡啶 作用下， 反应 48.0h， 以59%的产率得到1,1′-(3,7-di-tert-butyl-5,5-dioxo-5,10-dihydro-5λ⁶-phenothiazine-1,9-diyl)bis{3-[(1S)-1-phenylethyl]thiourea}
  参考文献：
  名称：

  Synthesis and enantiomeric recognition studies of optically active 5,5-dioxophenothiazine bis(urea) and bis(thiourea) derivatives

  摘要：

  Novel optically active 5,5-dioxophenothiazine bis(urea) and bis(thiourea) derivatives were synthesized and their enantiomeric recognition abilities toward the enantiomers of tetrabutylammonium salts of a-hydroxy and N-protected alpha-amino acids were examined in acetonitrile using fluorescence spectroscopy. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2016.08.002

文献信息

• Synthesis and enantiomeric recognition studies of optically active 5,5-dioxophenothiazine bis(urea) and bis(thiourea) derivatives
  作者：Dávid Pál、Ildikó Móczár、Attila Kormos、Péter Baranyai、Péter Huszthy

  DOI：10.1016/j.tetasy.2016.08.002

  日期：2016.10

  Novel optically active 5,5-dioxophenothiazine bis(urea) and bis(thiourea) derivatives were synthesized and their enantiomeric recognition abilities toward the enantiomers of tetrabutylammonium salts of a-hydroxy and N-protected alpha-amino acids were examined in acetonitrile using fluorescence spectroscopy. (C) 2016 Elsevier Ltd. All rights reserved.