1-Naphthalen-1-yl-3-[2-[[5,11,17,23-tetratert-butyl-27-[2-(naphthalen-1-ylcarbamothioylamino)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]thiourea | 1160524-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-Naphthalen-1-yl-3-[2-[[5,11,17,23-tetratert-butyl-27-[2-(naphthalen-1-ylcarbamothioylamino)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]thiourea
• 英文别名: 1-naphthalen-1-yl-3-[2-[[5,11,17,23-tetratert-butyl-27-[2-(naphthalen-1-ylcarbamothioylamino)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]thiourea
• CAS: 1160524-93-5
• 化学式: C₇₂H₈₄N₄O₄S₆
• 分子量: 1261.88
• InChiKey: MRMIZIBAZOTGHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.7
• 重原子数：
  86
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  250
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-syn-25,27-bis(2-aminoethoxy)-26,28-dipropoxythiacalix[4]arene 、 1-萘异硫氰酸酯 以 二氯甲烷 为溶剂， 反应 48.0h， 以42%的产率得到1-Naphthalen-1-yl-3-[2-[[5,11,17,23-tetratert-butyl-27-[2-(naphthalen-1-ylcarbamothioylamino)ethoxy]-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]ethyl]thiourea
  参考文献：
  名称：

  F−-Induced ‘turn-on’ fluorescent chemosensor based on 1,3-alt thiacalix[4]arene

  摘要：

  A new thiacalix[4]arene based fluorescent sensor I bearing two naphthyl groups has been synthesized in 1,3-alternate conformation. in the absence of fluoride ion, the receptor I is in 'off-state' showing no fluorescence emission. The presence of fluoride ion triggered the fluorescence emission to 'on-state' The. receptor shows pronounced selectivity for fluoride ions. In THF, the presence of F- ions induces the formation of a 1: 1 (G:H) complex. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.03.074

文献信息

• F−-Induced ‘turn-on’ fluorescent chemosensor based on 1,3-alt thiacalix[4]arene
  作者：Manoj Kumar、Rajesh Kumar、Vandana Bhalla

  DOI：10.1016/j.tet.2009.03.074

  日期：2009.5

  A new thiacalix[4]arene based fluorescent sensor I bearing two naphthyl groups has been synthesized in 1,3-alternate conformation. in the absence of fluoride ion, the receptor I is in 'off-state' showing no fluorescence emission. The presence of fluoride ion triggered the fluorescence emission to 'on-state' The. receptor shows pronounced selectivity for fluoride ions. In THF, the presence of F- ions induces the formation of a 1: 1 (G:H) complex. (C) 2009 Elsevier Ltd. All rights reserved.