1,1'-(((((32,72-dihydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(propane-3,1-diyl))bis(oxy))bis(4,1-phenylene))bis(ethan-1-one) | 950835-14-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-(((((32,72-dihydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(propane-3,1-diyl))bis(oxy))bis(4,1-phenylene))bis(ethan-1-one)
• CAS: 950835-14-0
• 化学式: C₅₀H₄₈O₈
• 分子量: 776.926
• InChiKey: NKESDZOIXYCNHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.88
• 重原子数：
  58.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  111.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1,1'-(((((32,72-dihydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(propane-3,1-diyl))bis(oxy))bis(4,1-phenylene))bis(ethan-1-one) 、 S-(4-叔-丁基苯甲基)[2-(1-甲基丁基)吡啶-3-基]硫代氨基甲酸酯 以 甲醇 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  A novel calix[4]arene-based neutral semicarbazone receptor for anion recognition

  摘要：

  A series of novel calix[4]arene-based neutral semicarbazone and thiosemicarbazone receptors have been synthesized and characterized. The molecular receptor 4a recognizes HSO4- in preference to other anions (C1(-), Br-, I-, ClO4-, H2PO4- and PF6-) through a 1:1 binding-stoichiometry. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.075
• 作为产物：
  描述：

  杯[4]芳烃 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 1,1'-(((((32,72-dihydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diyl)bis(oxy))bis(propane-3,1-diyl))bis(oxy))bis(4,1-phenylene))bis(ethan-1-one)
  参考文献：
  名称：

  A novel calix[4]arene-based neutral semicarbazone receptor for anion recognition

  摘要：

  A series of novel calix[4]arene-based neutral semicarbazone and thiosemicarbazone receptors have been synthesized and characterized. The molecular receptor 4a recognizes HSO4- in preference to other anions (C1(-), Br-, I-, ClO4-, H2PO4- and PF6-) through a 1:1 binding-stoichiometry. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.075

文献信息

• A new class of functionalized calix[4]arenes as neutral receptors for colorimetric detection of fluoride ions
  作者：Har Mohindra Chawla、Rahul Shrivastava、Satya Narayan Sahu

  DOI：10.1039/b800502h

  日期：——

  A new class of functionalized calix[4]arenes have been synthesized and evaluated for colorimetric detection of fluoride ions. The molecular receptor 4b selectively recognizes fluoride ions via H-bonds and subsequent deprotonation to elicit a distinct colour change from yellow to dark purple.

  合成了一类新的功能化杯[4]芳烃，并进行了比色法评估 检测 氟化物离子。分子受体 4b选择性地识别氟化物离子通过 H-键和随后的去质子化，以引起从黄色到深紫色的明显颜色变化。