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 | 1381755-57-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 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
• 英文别名: 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
• CAS: 1381755-57-2
• 化学式: C₁₁₄H₁₄₁N₉O₁₂
• 分子量: 1829.43
• InChiKey: BOTDQQYRUJIDAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.1
• 重原子数：
  135
• 可旋转键数：
  30
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  259
• 氢给体数：
  3
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2-噻吩甲胺 、 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 以 甲醇 为溶剂， 反应 12.0h， 以62%的产率得到
  参考文献：
  名称：

  Nehra, Anita; Hinge, Vijay Kumar; Nag, Rahul, Journal of the Indian Chemical Society, 2018, vol. 95, # 12, p. 1541 - 1549

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(azidomethyl)-5-(tert-butyl)-2-hydroxybenzaldehyde 、 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-38,40,42-trimethoxy-37,39,41-tris(2-propynyloxy)calix<6>arene 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 二氯甲烷 、 水 、 叔丁醇 为溶剂， 反应 12.0h， 以93%的产率得到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
  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