5,11,17,23,29-pentakis(1,1-dimethylethyl)-31-(2-(2-N-phthalimidoethoxy)ethoxy)-32,35-33,34-bis-crown-3-calix[5]arene | 1159511-09-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5,11,17,23,29-pentakis(1,1-dimethylethyl)-31-(2-(2-N-phthalimidoethoxy)ethoxy)-32,35-33,34-bis-crown-3-calix[5]arene
• 英文别名: 2-[2-[2-[(3,9,23,29,44-Pentatert-butyl-13,16,19,33,36,39-hexaoxaoctacyclo[29.9.7.111,21.142,46.05,40.07,12.020,25.027,32]nonatetraconta-1,3,5(40),7,9,11,20,22,24,27(32),28,30,42,44,46(48)-pentadecaen-48-yl)oxy]ethoxy]ethyl]isoindole-1,3-dione
• CAS: 1159511-09-7
• 化学式: C₇₅H₉₃NO₁₀
• 分子量: 1168.56
• InChiKey: LOCYORNQZHJPRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  86
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5,11,17,23,29-pentakis(1,1-dimethylethyl)-31-(2-(2-N-phthalimidoethoxy)ethoxy)-32,35-33,34-bis-crown-3-calix[5]arene 在 一水合肼 作用下， 以 乙醇 为溶剂， 以87%的产率得到5,11,17,23,29-pentakis(1,1-dimethylethyl)-31-(2-(2-aminoethoxy)ethoxy)-32,35-33,34-bis-crown-3-calix[5]arene
  参考文献：
  名称：

  Calix[5]arene-Based Heteroditopic Receptor for 2-Phenylethylamine Hydrochloride

  摘要：

  Novel (1,2-3,5)-calix[5]arene-bis-crown-3 and (1,3)-calix[5]arene-crown-3 derivatives, bearing one or three ureido moieties at the lower rim, respectively, have been synthesized and investigated as heteroditopic receptors for inorganic and organic salts. Tris-ureido-calix[5]arene-crown-3 10, in particular, efficiently binds 2-phenylethylamine hydrochloride (PEA center dot HCl) as a spatially separated ion pair.

  DOI：

  10.1021/jo802777v
• 作为产物：
  描述：

  3,9,23,29,44-Pentatert-butyl-48-[2-(2-chloroethoxy)ethoxy]-13,16,19,33,36,39-hexaoxaoctacyclo[29.9.7.111,21.142,46.05,40.07,12.020,25.027,32]nonatetraconta-1,3,5(40),7,9,11,20,22,24,27(32),28,30,42,44,46(48)-pentadecaene 、 potassium phtalimide 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以78%的产率得到5,11,17,23,29-pentakis(1,1-dimethylethyl)-31-(2-(2-N-phthalimidoethoxy)ethoxy)-32,35-33,34-bis-crown-3-calix[5]arene
  参考文献：
  名称：

  Calix[5]arene-Based Heteroditopic Receptor for 2-Phenylethylamine Hydrochloride

  摘要：

  Novel (1,2-3,5)-calix[5]arene-bis-crown-3 and (1,3)-calix[5]arene-crown-3 derivatives, bearing one or three ureido moieties at the lower rim, respectively, have been synthesized and investigated as heteroditopic receptors for inorganic and organic salts. Tris-ureido-calix[5]arene-crown-3 10, in particular, efficiently binds 2-phenylethylamine hydrochloride (PEA center dot HCl) as a spatially separated ion pair.

  DOI：

  10.1021/jo802777v

文献信息

• Calix[5]arene-Based Heteroditopic Receptor for 2-Phenylethylamine Hydrochloride
  作者：Claudia Gargiulli、Giuseppe Gattuso、Claudia Liotta、Anna Notti、Melchiorre F. Parisi、Ilenia Pisagatti、Sebastiano Pappalardo

  DOI：10.1021/jo802777v

  日期：2009.6.5

  Novel (1,2-3,5)-calix[5]arene-bis-crown-3 and (1,3)-calix[5]arene-crown-3 derivatives, bearing one or three ureido moieties at the lower rim, respectively, have been synthesized and investigated as heteroditopic receptors for inorganic and organic salts. Tris-ureido-calix[5]arene-crown-3 10, in particular, efficiently binds 2-phenylethylamine hydrochloride (PEA center dot HCl) as a spatially separated ion pair.