1-Benzyl-4-[[39,41-bis[(1-benzyltriazol-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]triazole | 1381755-58-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Benzyl-4-[[39,41-bis[(1-benzyltriazol-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]triazole
• 英文别名: 1-benzyl-4-[[39,41-bis[(1-benzyltriazol-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]triazole
• CAS: 1381755-58-3
• 化学式: C₉₉H₁₁₇N₉O₆
• 分子量: 1529.07
• InChiKey: SRIHRDGILBZLSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.1
• 重原子数：
  114
• 可旋转键数：
  24
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  苄基叠氮 、 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-38,40,42-trimethoxy-37,39,41-tris(2-propynyloxy)calix<6>arene 在 triethylphosphite copper(I) iodide complex 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以87%的产率得到1-Benzyl-4-[[39,41-bis[(1-benzyltriazol-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]triazole
  参考文献：
  名称：

  铜（I）催化的叠氮化物与多个炔烃的环加成反应：使用杯芳烃骨架的选择性研究

  摘要：

  在可预组织的杯芳烃平台上研究了铜（I）催化向多个炔烃中添加有限量的叠氮化物，导致三唑/乙炔衍生物的统计混合物，或者在其他情况下导致优选形成多种三唑的情况。到四个炔丙基。根据杯芳烃的结构和反应条件，观察到空前的三唑基杯芳烃的特异性或选择性的空前形成或选择性的完全丧失。由于铜-三唑络合而导致的自催化铜活化和局部铜（I）浓度增加均被作为选择性的最预期原因进行了深入研究，但均未得到证实。

  DOI：

  10.1002/chem.201500946

文献信息

• Copper(I)-Catalyzed Cycloaddition of Azides to Multiple Alkynes: A Selectivity Study Using a Calixarene Framework
  作者：Alexander Gorbunov、Dmitry Cheshkov、Vladimir Kovalev、Ivan Vatsouro

  DOI：10.1002/chem.201500946

  日期：2015.6.22

  local copper(I) concentration increase due to copper–triazole complexation were thoroughly studied as the most expected reasons for the selectivity and both were disproved. Mixed triazolated/propargylated calixarenes and their copper(I) complexes proved not to be involved in the cascade‐like process that was modeled to be driven by an intramolecular transfer of two copper(I) ions from a just‐formed

  在可预组织的杯芳烃平台上研究了铜（I）催化向多个炔烃中添加有限量的叠氮化物，导致三唑/乙炔衍生物的统计混合物，或者在其他情况下导致优选形成多种三唑的情况。到四个炔丙基。根据杯芳烃的结构和反应条件，观察到空前的三唑基杯芳烃的特异性或选择性的空前形成或选择性的完全丧失。由于铜-三唑络合而导致的自催化铜活化和局部铜（I）浓度增加均被作为选择性的最预期原因进行了深入研究，但均未得到证实。
• 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.
• Nehra, Anita; Hinge, Vijay Kumar; Nag, Rahul, Journal of the Indian Chemical Society, 2018, vol. 95, # 12, p. 1541 - 1549
  作者：Nehra, Anita、Hinge, Vijay Kumar、Nag, Rahul、Rao, Chebrolu Pulla

  DOI：——

  日期：——