5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride | 139934-97-7

• 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-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride
• 英文别名: 25,26,27,28-tetramethoxy-5,11,17,23-tetrakis(trimethylammoniomethyl)calix[4]arene tetrachloride；5,11,17,23-tetrakis(trimethylammoniomethyl)-25,26,27,28-tetramethoxycalix[4]arene tetrachloride；5,11,17,23-tetrakis(trimethylammoniomethyl)-5,6,7,28-tetramethoxycalix[4]arene tetrachloride；5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix[4]arene tetrachloride
• CAS: 139934-97-7
• 化学式: C₄₈H₇₂N₄O₄*4Cl
• 分子量: 910.936
• InChiKey: PUGXOWIRUPWFTQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  57.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  尿苷5-单磷酸 、 5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride 以 重水 为溶剂， 生成
  参考文献：
  名称：

  Shi, Youheng; Schneider, Hans-Joerg, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 8, p. 1797 - 1803

  摘要：

  DOI：
• 作为产物：
  描述：

  以 重水 为溶剂， 生成 5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride 、 鸟苷酸
  参考文献：
  名称：

  Shi, Youheng; Schneider, Hans-Joerg, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 8, p. 1797 - 1803

  摘要：

  DOI：
• 作为试剂：
  描述：

  苯甲醛 、 茚 在 sodium hydroxide 、 5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride 作用下， 以 水 为溶剂， 反应 1.5h， 以90%的产率得到(E)-1-benzylidene-1H-indene
  参考文献：
  名称：

  Water-soluble calixarenes as new inverse phase-transfer catalysts. Their application to aldol-type condensation and Michael addition reactions in water

  摘要：

  Aldol-type condensation and Michael addition reactions of activated methyl and methylene compounds in aqueous NaOH solution have been developed without the need for any added organic solvents. The water-soluble calix[n]arenes, which contain trimethyl-ammoniomethyl groups on the upper rim, were used as inverse phase-transfer catalysts, resulting in the corresponding products in good to excellent yields. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00572-5

文献信息

• Water-Soluble Calixarenes as New Inverse Phase-Transfer Catalysts. Their Scope in Aqueous Biphasic Alkylations and Mechanistic Implications
  作者：Shoichi Shimizu、Takashi Suzuki、Seiji Shirakawa、Yasuyuki Sasaki、Choichiro Hirai

  DOI：10.1002/1615-4169(200206)344:3/4<370::aid-adsc370>3.0.co;2-3

  日期：2002.6

  Alkylation reactions of active methylene compounds, alcohols and phenols with alkyl halides in aqueous NaOH solution can be carried out without the need for any added organic solvents in most cases. The water-soluble calix[n]arenes, which contain trimethylammoniomethyl groups on the upper rim, were used as inverse phase-transfer catalysts, resulting in the corresponding alkylated products in good to

  在大多数情况下，无需任何添加的有机溶剂即可在 NaOH 水溶液中进行活性亚甲基化合物、醇和酚与烷基卤化物的烷基化反应。水溶性杯[n]芳烃在上缘含有三甲基氨甲基，用作反相转移催化剂，得到相应的烷基化产物，产率从良好到高产率。讨论了该方法在水性双相烷基化反应中的范围和机理意义。
• Novel conformational isomerism of water-soluble calix[4]arenes
  作者：Takeshi Nagasaki、Koichi Sisido、Takashi Arimura、Seiji Shinkai

  DOI：10.1016/s0040-4020(01)88184-9

  日期：——

  The conformer distribution of 5, 11, 17, 23-tetrasulfonato-25, 26, 27, 28-tetramethoxycalix[4]arene (1) and 5, 11, 17, 23-tetrakis (trimethylammoniomethyl)-25, 26, 27, 28-tetramethoxycalix[4]arene (2) was estimated in an aqueous system. Surprisingly, these calix[4]arenes adopt a which has never been found as a major species in organic solvents but has been predicted to be most stable on the basis of

  5、11、17、23-四硫代磺酸25、26、27、28-四甲氧基杯[4]芳烃（1）和5、11、17、23-四（三甲基铵甲基）-25、26、27的构象分布在水性体系中估计了28-四甲氧基杯[4]芳烃（2）。出乎意料的是，这些杯[4]芳烃采用的a从未在有机溶剂中被发现为主要种类，但根据计算研究预测它是最稳定的。