1-naphthalen-1-yl-3-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]thiourea | 1213225-36-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-naphthalen-1-yl-3-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]thiourea
• CAS: 1213225-36-5
• 化学式: C₇₃H₁₁₈N₂O₃₄S
• 分子量: 1599.8
• InChiKey: YXRQBTSXMPBXGW-FIEHBQBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  110
• 可旋转键数：
  29
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  370
• 氢给体数：
  2
• 氢受体数：
  35

反应信息

• 作为产物：
  描述：

  mono(6-amino-6-deoxy)-per(2,3,6-O-methyl)-β-cyclodextrin 、 1-萘异硫氰酸酯 以 二氯甲烷 为溶剂， 反应 12.0h， 以85%的产率得到1-naphthalen-1-yl-3-[[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]thiourea
  参考文献：
  名称：

  萘硫脲修饰的全甲基环糊精可作为水和活细胞中Hg 2+的高灵敏度和选择性“开启”荧光化学传感器†

  摘要：

  合成了萘硫脲改性的环糊精（1）及其脲衍生物（2），研究了它们在各种金属离子存在下的荧光行为。显着地，1显示了对Hg 2+的高灵敏度和选择性的荧光感应能力，在两种情况下都比其他金属离子高水和活细胞。也就是说，除了汞2+到的水溶液1在~380纳米作了显著增强的荧光。相反，其他金属离子的添加​​引起的荧光变化可忽略不计。可能的机制可能是由于硫脲 到 尿素由Hg 2+诱导的脱硫水。

  DOI：

  10.1039/c1ob05221g