40,41-Bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene | 1207519-36-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 40,41-Bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene
• 英文别名: 40,41-bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene
• CAS: 1207519-36-5
• 化学式: C₅₀H₅₀O₅S₂
• 分子量: 795.076
• InChiKey: RVBIQSJCGNHSAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  57
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  96.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  25,27-bis(benzyloxy)-26,28-bis(2-mesyloxyethoxy)calix[4]arene 、 2-巯基乙醚 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 40,41-Bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene
  参考文献：
  名称：

  Calix[4]arene-dithiacrown ethers: synthesis and potentiometric membrane sensing of Hg2+

  摘要：

  A series of calix[4]arene-dithiacrown-5 and -dithiacrown-6 Compounds in cone and 1,3-alternate conformations has been synthesized. Responses of these ionophores to Hg2+ and competing metal ions were determined in solvent polymeric membrane electrodes. High potentiometric selectivity for Hg2+ over Na+ and a variety of transition and heavy metal ions was obtained. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.058

文献信息

• Calix[4]arene-dithiacrown ethers: synthesis and potentiometric membrane sensing of Hg2+
  作者：Yanfei Yang、Xiaodan Cao、Malgorzata Surowiec、Richard A. Bartsch

  DOI：10.1016/j.tet.2009.11.058

  日期：2010.1

  A series of calix[4]arene-dithiacrown-5 and -dithiacrown-6 Compounds in cone and 1,3-alternate conformations has been synthesized. Responses of these ionophores to Hg2+ and competing metal ions were determined in solvent polymeric membrane electrodes. High potentiometric selectivity for Hg2+ over Na+ and a variety of transition and heavy metal ions was obtained. (C) 2009 Elsevier Ltd. All rights reserved.