5,11,17,23,29,35-hexa-p-tert-butyl-37,38,39,40,41,42-hexakis(3,6,9-trioxadecyloxy)calix<6>arene | 120766-01-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23,29,35-hexa-p-tert-butyl-37,38,39,40,41,42-hexakis(3,6,9-trioxadecyloxy)calix<6>arene
• 英文别名: 5,11,17,23,29,35-Hexatert-butyl-37,38,39,40,41,42-hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
• CAS: 120766-01-0；146145-09-7
• 化学式: C₁₀₈H₁₆₈O₂₄
• 分子量: 1850.51
• InChiKey: XXKUUBRZCCAAGY-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C(Solv: ethanol (64-17-5))
• 沸点：
  1334.0±65.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  18.7
• 重原子数：
  132
• 可旋转键数：
  66
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  222
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  4-叔丁基杯[6]芳烃 、 对甲苯磺酸三缩乙二醇单甲醚酯 在 氢氧化钾 、 苄基三甲基氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以94%的产率得到5,11,17,23,29,35-hexa-p-tert-butyl-37,38,39,40,41,42-hexakis(3,6,9-trioxadecyloxy)calix<6>arene
  参考文献：
  名称：

  Catalytic Activity of an Octopus-type Calixarene on the Formation of Ethers

  摘要：

  5,11,17,23,29,35-六叔丁基-37,38,39,40,41,42-六(3,6,9-三氧杂癸氧基)杯[6]芳烃通过Williamson合成法催化醚和双酚氧甲烷的形成。

  DOI：

  10.1246/cl.1988.1773
• 作为试剂：
  描述：

  二氯甲烷 、 苯酚 在 氢氧化钾 、 5,11,17,23,29,35-hexa-p-tert-butyl-37,38,39,40,41,42-hexakis(3,6,9-trioxadecyloxy)calix<6>arene 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以100%的产率得到二苯氧基甲烷
  参考文献：
  名称：

  章鱼型杯芳烃对苯酚和卤代烷或1-氯-4-硝基苯形成醚的催化能力

  摘要：

  醚的形成由 5,11,17,23,29,35-hexa-pt-butyl-37,38,39,40,41,42-hexakis(3,6,9-trioxadecyloxy) 杯催化[6 ]芳烃(1)。发现杯芳烃催化的苯...

  DOI：

  10.1246/bcsj.68.3563

文献信息

• Catalytic ability of a flexible octopus-type calix[6]arene in ester-forming reactions and its structural properties
  作者：Eisaku Nomura、Hisaji Taniguchi、Kouichi Kawaguchi、Yoshio Otsuji

  DOI：10.1021/jo00069a039

  日期：1993.8

  The ester-forming reaction of alkali metal carboxylates with alkyl halides was catalyzed by the octopus-type calix[6]arene 1 which bears six 3,6,9-trioxadecyl substituents at the phenolic oxygens. The catalytic ability of 1 was significantly large in CH2Cl2 and CH3CN but negligible in less polar solvents such as benzene and dioxane. The catalytic ability is also affected by the amount of water present in the reaction system. A similar solvent effect was found in the alkali metal cation extraction by 1 from aqueous solutions to organic solvents. The conformation and structural mobility of 1 in organic solvents were studied by H-1 NMR spectroscopy at varying temperatures. Compound 1 had a 1,4-anti conformation (see Figure 4) both in CD2Cl2 and C6D6, but the orientation of the substituents on the aromatic rings of 1 varied with temperature. The reactivity features of 1 are discussed on the basis of its structural properties.
• TANIGUTI, XISADZI;NOMURA, EHJSAKU
  作者：TANIGUTI, XISADZI、NOMURA, EHJSAKU

  DOI：——

  日期：——
• TANIGUCHI, HISAJI;NOMURA, EISAKU, CHEM. LETT.,(1988) N 10, C. 1773-1776
  作者：TANIGUCHI, HISAJI、NOMURA, EISAKU

  DOI：——

  日期：——
• Catalytic Activity of an Octopus-type Calixarene on the Formation of Ethers
  作者：Hisaji Taniguchi、Eisaku Nomura

  DOI：10.1246/cl.1988.1773

  日期：1988.10.5

  5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix [6]arene catalyzes the formation of an ether and bisphenoxymethanes through the Williamson synthesis.

  5,11,17,23,29,35-六叔丁基-37,38,39,40,41,42-六(3,6,9-三氧杂癸氧基)杯[6]芳烃通过Williamson合成法催化醚和双酚氧甲烷的形成。