19,25,31,36-Tetratert-butyl-40,41-bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaene | 1207519-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 19,25,31,36-Tetratert-butyl-40,41-bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaene
• 英文别名: 19,25,31,36-tetratert-butyl-40,41-bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-dodecaene
• CAS: 1207519-34-3
• 化学式: C₆₆H₈₂O₅S₂
• 分子量: 1019.51
• InChiKey: ZSNDFECFOXFWKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.2
• 重原子数：
  73
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-bis(benzyloxy)-26,28-bis(2-mesyloxy-ethoxy)calix[4]arene 、 2-巯基乙醚 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 以19%的产率得到19,25,31,36-Tetratert-butyl-40,41-bis(phenylmethoxy)-3,9,15-trioxa-6,12-dithiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23(41),24,26,29,31,34,36,38(40)-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.