2-[[12,18,39-Tris(2-chloro-2-oxoethoxy)-25,29,33,37-tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxy]acetyl chloride | 634612-07-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-[[12,18,39-Tris(2-chloro-2-oxoethoxy)-25,29,33,37-tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxy]acetyl chloride
• CAS: 634612-07-0
• 化学式: C₇₂H₆₀Cl₄O₁₆
• 分子量: 1323.07
• InChiKey: BDDGLJOZLDIHIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.3
• 重原子数：
  92
• 可旋转键数：
  24
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  179
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  {4-[5'-(4-Amino-phenyl)-[2,2']bifuranyl-5-yl]-phenyl}-carbamic acid tert-butyl ester 、 2-[[12,18,39-Tris(2-chloro-2-oxoethoxy)-25,29,33,37-tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxy]acetyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Cavitands bearing four fluorophores

  摘要：

  The synthesis of novel cavitands containing four fluorophores [tort-butoxycarbonyl protected 2,2'-bis(furyl)benzidine (t-BOC FurylBZ) or 5,5'-bis(4-aminophenyl)-2,2'-bifuryl (t-BOC PFDA)] and ionophoric functional groups on the upper rim is reported. The cavitands bearing the four fluorophores emit blue light photoluminescence. In particular, the cavitand containing PFDA moieties exhibits a high photoluminescence quantum yield. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.070
• 作为产物：
  描述：

  2-[[12,18,39-Tris(carboxymethoxy)-25,29,33,37-tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxy]acetic acid 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 2-[[12,18,39-Tris(2-chloro-2-oxoethoxy)-25,29,33,37-tetrakis(2-phenylethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]oxy]acetyl chloride
  参考文献：
  名称：

  Cavitands bearing four fluorophores

  摘要：

  The synthesis of novel cavitands containing four fluorophores [tort-butoxycarbonyl protected 2,2'-bis(furyl)benzidine (t-BOC FurylBZ) or 5,5'-bis(4-aminophenyl)-2,2'-bifuryl (t-BOC PFDA)] and ionophoric functional groups on the upper rim is reported. The cavitands bearing the four fluorophores emit blue light photoluminescence. In particular, the cavitand containing PFDA moieties exhibits a high photoluminescence quantum yield. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.070