2-[[48-(Carboxymethoxy)-12-formyl-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetic acid | 845555-87-5

• 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: 2-[[48-(Carboxymethoxy)-12-formyl-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetic acid
• 英文别名: 2-[[48-(carboxymethoxy)-12-formyl-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetic acid
• CAS: 845555-87-5
• 化学式: C₄₇H₄₆O₁₃
• 分子量: 818.874
• InChiKey: QAMKVXIQEGJUFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  60
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  166
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  2-[[48-(Carboxymethoxy)-12-formyl-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetic acid 、 Ethyl 2-[[48-(2-ethoxy-2-oxoethoxy)-12-(hydroxymethyl)-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以91%的产率得到Ethyl 2-[[12-[[2-[[48-[2-[[47,48-bis(2-ethoxy-2-oxoethoxy)-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1(39),2(36),10(15),11,13,23(28),24,26,30(48),31,33,37,41,43,45(47)-pentadecaen-12-yl]methoxy]-2-oxoethoxy]-12-formyl-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetyl]oxymethyl]-48-(2-ethoxy-2-oxoethoxy)-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetate
  参考文献：
  名称：

  The synthesis of calix[4]crown based dendrimer

  摘要：

  A second generation of dendrimer with calixcrown as repeat unit was first synthesized. Its structure and conformation was determined by H-1 NMR and MALDI-TOF mass spectra. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.11.043
• 作为产物：
  描述：

  Benzaldehyde, 3,4-bis[2-(2-hydroxyethoxy)ethoxy]- 在 sodium hydroxide 、 四甲基氢氧化铵 、 caesium carbonate 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 38.0h， 生成 2-[[48-(Carboxymethoxy)-12-formyl-3,6,9,16,19,22-hexaoxaheptacyclo[22.15.7.130,34.141,45.02,36.010,15.023,28]octatetraconta-1,10(15),11,13,23,25,27,30(48),31,33,36,38,41,43,45(47)-pentadecaen-47-yl]oxy]acetic acid
  参考文献：
  名称：

  The synthesis of calix[4]crown based dendrimer

  摘要：

  A second generation of dendrimer with calixcrown as repeat unit was first synthesized. Its structure and conformation was determined by H-1 NMR and MALDI-TOF mass spectra. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.11.043

文献信息

• The synthesis of calix[4]crown based dendrimer
  作者：Jian-Hua Bu、Qi-Yu Zheng、Chuan-Feng Chen、Zhi-Tang Huang

  DOI：10.1016/j.tet.2004.11.043

  日期：2005.1

  A second generation of dendrimer with calixcrown as repeat unit was first synthesized. Its structure and conformation was determined by H-1 NMR and MALDI-TOF mass spectra. (C) 2004 Elsevier Ltd. All rights reserved.