2-(Benzyliminomethyl)-6-[[4-[[39,41-bis[[1-[[3-(benzyliminomethyl)-5-tert-butyl-2-hydroxyphenyl]methyl]triazol-4-yl]methoxy]-5,11,17,23,29,35-hexatert-butyl-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]methyl]-4-tert-butylphenol | 1381755-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(Benzyliminomethyl)-6-[[4-[[39,41-bis[[1-[[3-(benzyliminomethyl)-5-tert-butyl-2-hydroxyphenyl]methyl]triazol-4-yl]methoxy]-5,11,17,23,29,35-hexatert-butyl-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]methyl]-4-tert-butylphenol
• 英文别名: 2-(benzyliminomethyl)-6-[[4-[[39,41-bis[[1-[[3-(benzyliminomethyl)-5-tert-butyl-2-hydroxyphenyl]methyl]triazol-4-yl]methoxy]-5,11,17,23,29,35-hexatert-butyl-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]methyl]-4-tert-butylphenol
• CAS: 1381755-60-7
• 化学式: C₁₃₅H₁₆₂N₁₂O₉
• 分子量: 2096.85
• InChiKey: HQUAJUFTYAUSQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.7
• 重原子数：
  156
• 可旋转键数：
  36
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  245
• 氢给体数：
  3
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  5-Tert-butyl-3-[[4-[[5,11,17,23,29,35-hexatert-butyl-39,41-bis[[1-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methyl]triazol-4-yl]methoxy]-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]methyl]-2-hydroxybenzaldehyde 、 苄胺 以 甲醇 为溶剂， 反应 12.0h， 以70%的产率得到2-(Benzyliminomethyl)-6-[[4-[[39,41-bis[[1-[[3-(benzyliminomethyl)-5-tert-butyl-2-hydroxyphenyl]methyl]triazol-4-yl]methoxy]-5,11,17,23,29,35-hexatert-butyl-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]methyl]-4-tert-butylphenol
  参考文献：
  名称：

  Triazole Linked Picolylimine Conjugate of Calix[6]arene as a Sequential Sensor for La³⁺ Followed by F^–

  摘要：

  A new 1,3,5-tris-triazole linked picolylimine conjugate of calix[6]arene (L) has been shown to be selective toward La3+ by turn on fluorescence with similar to 70-fold enhancement and emits blue, with a minimal detection limit of 65 +/- 5 ppb (490 nM). The species of recognition has been modeled computationally to have a monocapped twisted square antiprism with a N6O3 binding core about La3+. The in situ complex of L with La3+ recognizes F- via fluorescence quenching. The reversible response of sensing La3+ and F- sequentially by L has been demonstrated.

  DOI：

  10.1021/ol300919h

文献信息

• Triazole Linked Picolylimine Conjugate of Calix[6]arene as a Sequential Sensor for La³⁺ Followed by F^–
  作者：V. V. Sreenivasu Mummidivarapu、Anita Nehra、Vijaya Kumar Hinge、Chebrolu P. Rao

  DOI：10.1021/ol300919h

  日期：2012.6.15

  A new 1,3,5-tris-triazole linked picolylimine conjugate of calix[6]arene (L) has been shown to be selective toward La3+ by turn on fluorescence with similar to 70-fold enhancement and emits blue, with a minimal detection limit of 65 +/- 5 ppb (490 nM). The species of recognition has been modeled computationally to have a monocapped twisted square antiprism with a N6O3 binding core about La3+. The in situ complex of L with La3+ recognizes F- via fluorescence quenching. The reversible response of sensing La3+ and F- sequentially by L has been demonstrated.