9-(4-Methylphenyl)sulfonyl-3,6,12,15-tetraoxa-9-azahexacyclo[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-40,41-diol | 496879-81-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-(4-Methylphenyl)sulfonyl-3,6,12,15-tetraoxa-9-azahexacyclo[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-40,41-diol
• CAS: 496879-81-3
• 化学式: C₄₃H₄₅NO₈S
• 分子量: 735.898
• InChiKey: XMDVPTVBFONNNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  53
• 可旋转键数：
  2
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  9-(4-Methylphenyl)sulfonyl-3,6,12,15-tetraoxa-9-azahexacyclo[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-40,41-diol 在 disodium hydrogenphosphate 、 sodium amalgam 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 48.0h， 以70%的产率得到3,6,12,15-Tetraoxa-9-azahexacyclo[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-40,41-diol
  参考文献：
  名称：

  Molecular Taekwondo. 2. A New Calix[4]azacrown Bearing Two Different Binding Sites as a New Fluorescent Ionophore

  摘要：

  Synthesis and binding studies of a new calixarene-based fluoroionophore were made. Calix[4]azacrown having an anthracenyl unit displayed large chelation-enhanced fluorescence effects with Cs+, Rb+, and K+ over other metal ion tested. Interesting "molecular taekwondo" processes between Cs+-Cu2+ and Cs+-Ag+ pairs were monitored via fluorescent changes.

  DOI：

  10.1021/jo020538i
• 作为产物：
  描述：

  对甲苯磺酰胺 、 25,27-bis(5-chloro-3-oxapentyloxy)calix[4]arene 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 23.0h， 以28%的产率得到9-(4-Methylphenyl)sulfonyl-3,6,12,15-tetraoxa-9-azahexacyclo[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-40,41-diol
  参考文献：
  名称：

  Molecular Taekwondo. 2. A New Calix[4]azacrown Bearing Two Different Binding Sites as a New Fluorescent Ionophore

  摘要：

  Synthesis and binding studies of a new calixarene-based fluoroionophore were made. Calix[4]azacrown having an anthracenyl unit displayed large chelation-enhanced fluorescence effects with Cs+, Rb+, and K+ over other metal ion tested. Interesting "molecular taekwondo" processes between Cs+-Cu2+ and Cs+-Ag+ pairs were monitored via fluorescent changes.

  DOI：

  10.1021/jo020538i