tert-butyl N-[5-[[2-[2-[1-[2-[[12,19-bis[2-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]ethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl]triazol-4-yl]ethoxy]-5-formylbenzoyl]amino]-2,4-dioctoxyphenyl]carbamate | 1289031-45-3

• 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: tert-butyl N-[5-[[2-[2-[1-[2-[[12,19-bis[2-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]ethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl]triazol-4-yl]ethoxy]-5-formylbenzoyl]amino]-2,4-dioctoxyphenyl]carbamate
• CAS: 1289031-45-3
• 化学式: C₁₄₇H₂₀₁N₁₅O₂₇
• 分子量: 2610.3
• InChiKey: BFHWIOIIYNAFKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.6
• 重原子数：
  189
• 可旋转键数：
  93
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  484
• 氢给体数：
  6
• 氢受体数：
  33

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[5-[[2-[2-[1-[2-[[12,19-bis[2-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]ethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl]triazol-4-yl]ethoxy]-5-formylbenzoyl]amino]-2,4-dioctoxyphenyl]carbamate 在 三氟乙酸 作用下， 以 氯仿 为溶剂， 反应 48.0h， 以100%的产率得到16,23,30-Trimethoxy-51,53,65,67,76,78-hexaoctoxy-5,14,32,41,85,94-hexaoxa-9,10,11,35,36,37,49,55,63,69,74,80,89,90,91-pentadecazahexadecacyclo[43.25.11.1024,60.318,31.18,11.115,19.135,38.150,54.157,61.164,68.175,79.04,72.021,26.042,47.188,91.028,98]dohecta-a(19),1(71),1a(8),2,2a(88),4(72),9,15,17,21,23,25,28,30,36,38(96),42(47),43,45,50(95),51,53,55,57(84),58,60,64(83),65,67,69,75(82),76,78,80,89,97-hexatriacontaene-48,62,73-trione
  参考文献：
  名称：

  Hydrogen Bonding-Directed Quantitative Self-Assembly of Cyclotriveratrylene Capsules and Their Encapsulation of C₆₀ and C₇₀

  摘要：

  Under the direction of intramolecular three-center hydrogen bonding, two cyclotriveratrylene (CTV)-based capsules are assembled quantitatively from C-3-symmetric CTV precursors by forming three imine bonds from arylamide-derived foldamer segments. H-1 and C-13 NMR and UV/vis experiments reveal that the capsules strongly encapsulate C-60 and C-70 in discrete solvents.

  DOI：

  10.1021/jo102577a
• 作为产物：
  描述：

  5,12,19-Tris(2-azidoethoxy)-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene 、 tert-butyl N-[5-[(2-but-3-ynoxy-5-formylbenzoyl)amino]-2,4-dioctoxyphenyl]carbamate 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 24.0h， 以74%的产率得到tert-butyl N-[5-[[2-[2-[1-[2-[[12,19-bis[2-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]ethoxy]-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxy]ethyl]triazol-4-yl]ethoxy]-5-formylbenzoyl]amino]-2,4-dioctoxyphenyl]carbamate
  参考文献：
  名称：

  Hydrogen Bonding-Directed Quantitative Self-Assembly of Cyclotriveratrylene Capsules and Their Encapsulation of C₆₀ and C₇₀

  摘要：

  Under the direction of intramolecular three-center hydrogen bonding, two cyclotriveratrylene (CTV)-based capsules are assembled quantitatively from C-3-symmetric CTV precursors by forming three imine bonds from arylamide-derived foldamer segments. H-1 and C-13 NMR and UV/vis experiments reveal that the capsules strongly encapsulate C-60 and C-70 in discrete solvents.

  DOI：

  10.1021/jo102577a

文献信息

• Hydrogen Bonding-Directed Quantitative Self-Assembly of Cyclotriveratrylene Capsules and Their Encapsulation of C₆₀ and C₇₀
  作者：Lu Wang、Gui-Tao Wang、Xin Zhao、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1021/jo102577a

  日期：2011.5.6

  Under the direction of intramolecular three-center hydrogen bonding, two cyclotriveratrylene (CTV)-based capsules are assembled quantitatively from C-3-symmetric CTV precursors by forming three imine bonds from arylamide-derived foldamer segments. H-1 and C-13 NMR and UV/vis experiments reveal that the capsules strongly encapsulate C-60 and C-70 in discrete solvents.