10,20,30,40,48,50,60,62-Octakis(2-ethoxyethoxy)-5,25-dioxaundecacyclo[27.11.7.79,21.13,39.17,11.113,17.119,23.127,31.133,37.142,46.154,58]dohexaconta-1,3(49),7(61),8,10,13(60),14,16,19,21,23(52),27(51),28,30,33,35,37(50),39,42(48),43,45,54,56,58(62)-tetracosaene | 136991-60-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 10,20,30,40,48,50,60,62-Octakis(2-ethoxyethoxy)-5,25-dioxaundecacyclo[27.11.7.79,21.13,39.17,11.113,17.119,23.127,31.133,37.142,46.154,58]dohexaconta-1,3(49),7(61),8,10,13(60),14,16,19,21,23(52),27(51),28,30,33,35,37(50),39,42(48),43,45,54,56,58(62)-tetracosaene
• CAS: 136991-60-1
• 化学式: C₉₂H₁₁₆O₁₈
• 分子量: 1509.92
• InChiKey: RVHGSCRXXJPYMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  110
• 可旋转键数：
  40
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  166
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  5,17-dihydroxymethyl-25,26,27,28-tetrakis(2-ethoxyethoxy)calix[4]arene 在 sodium hydride 、 对甲苯磺酰氯 作用下， 以 乙二醇二甲醚 、 甲苯 为溶剂， 反应 48.0h， 以25%的产率得到10,20,30,40,48,50,60,62-Octakis(2-ethoxyethoxy)-5,25-dioxaundecacyclo[27.11.7.79,21.13,39.17,11.113,17.119,23.127,31.133,37.142,46.154,58]dohexaconta-1,3(49),7(61),8,10,13(60),14,16,19,21,23(52),27(51),28,30,33,35,37(50),39,42(48),43,45,54,56,58(62)-tetracosaene
  参考文献：
  名称：

  杯[4]芳烃在“上缘”的选择性甲酰化和新空泡分子的合成

  摘要：

  首次实现构象刚性花萼[4]芳烃的直接选择性上边缘1,3-甲酰化；径向双（甲酰基）杯[4]芳烃4被用作合成新空泡分子的关键中间体。

  DOI：

  10.1039/c39910000936

文献信息

• Direct Regioselective Formylation of Tetraalkoxycalix[4]arenes Fixed in the Cone Conformation and Synthesis of New Cavitands
  作者：Arturo Arduini、Stefano Fanni、Giuseppe Manfredi、Andrea Pochini、Rocco Ungaro、Anna R. Sicuri、Franco Ugozzoli

  DOI：10.1021/jo00110a054

  日期：1995.3

  Regioselectivity of the formylation of tetraalkoxycalix[4]arene fixed in the cone conformation has been studied. Direct, diametrical (1,3) diformylation of calix[4]arenes having four chelating chains at the lower rim has been achieved. Simple tetraalkoxycalix[4]arenes produce a mixture of diametrical (1,3) and proximal (1,2) diformylated products. The (1,3) functionalized compounds have been used for the synthesis of double calix[4]arenes 12a,d linked via the upper rim. The residual mobility of these cone conformers is indicated by the X-ray crystal structure of compound 12d, which shows a flattened cone conformation, and by the reactive behavior of 1,3-bis(hydroxymethyl) derivatives 9a,d which give very distorted 1,3-bridged compounds 11a,d, through an intramolecular cyclization process.
• Selective formylation of calix[4]arenes at the ‘upper rim’ and synthesis of new cavitands
  作者：Arturo Arduini、Giuseppe Manfredi、Andrea Pochini、Anna Rita Sicuri、Rocco Ungaro

  DOI：10.1039/c39910000936

  日期：——

  The direct selective upper rim 1,3-formylation of conformationally rigid calyx[4]arenes is achieved for the first time; the diametrical bis(formyl)calix[4]arene 4 is used as a key intermediate for the synthesis of new cavitands.

  首次实现构象刚性花萼[4]芳烃的直接选择性上边缘1,3-甲酰化；径向双（甲酰基）杯[4]芳烃4被用作合成新空泡分子的关键中间体。