tert-butyl N-[5-[[2-[2-[1-[4-[[12,19-bis[4-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]butoxy]-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]butyl]triazol-4-yl]ethoxy]-5-formylbenzoyl]amino]-2,4-dioctoxyphenyl]carbamate | 1289031-53-3

• 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-[4-[[12,19-bis[4-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]butoxy]-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]butyl]triazol-4-yl]ethoxy]-5-formylbenzoyl]amino]-2,4-dioctoxyphenyl]carbamate
• CAS: 1289031-53-3
• 化学式: C₁₅₃H₂₁₃N₁₅O₂₇
• 分子量: 2694.46
• InChiKey: NMJNGVIOPTWONW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.7
• 重原子数：
  195
• 可旋转键数：
  99
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.55
• 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-[4-[[12,19-bis[4-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]butoxy]-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]butyl]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33,40,47-Trimethoxy-8,10,68,70,95,97-hexaoctoxy-20,31,49,60,75,86-hexaoxa-6,12,24,25,26,54,55,56,66,72,79,80,81,93,99-pentadecazahexadecacyclo[37.35.12.1116,64.332,45.14,74.17,11.123,26.144,48.154,57.167,71.178,81.014,19.037,42.194,98.035,104.061,91]octahecta-a(99),1(74),1a(57),2,2a(44),4(88),4a(5a),5,6a(23),7,7a(11),8a(94),9,14(19),15,17,24,32,34,37,39,41,45,47,55,61(91),62,64(90),65,67,69,71(89),78(87),79,95,97-hexatriacontaene-13,73,92-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：

  tert-butyl N-[5-[(2-but-3-ynoxy-5-formylbenzoyl)amino]-2,4-dioctoxyphenyl]carbamate 、 5,12,19-Tris(4-azidobutoxy)-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene 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76%的产率得到tert-butyl N-[5-[[2-[2-[1-[4-[[12,19-bis[4-[4-[2-[4-formyl-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioctoxyphenyl]carbamoyl]phenoxy]ethyl]triazol-1-yl]butoxy]-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]butyl]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.