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 | 496879-82-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 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: 496879-82-4
• 化学式: C₃₆H₃₉NO₆
• 分子量: 581.709
• InChiKey: VDMGPOSLDDPKCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  43
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.4
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,2-bis(5-chloro-3-oxa-1-pentyloxy)-4-(10-cyano-9-anthrylmethyl)benzene 、 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 caesium carbonate 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以30%的产率得到10-(3,6,9,16,19,22,36,39,45,48-Decaoxa-42-azaoctacyclo[32.25.1.124,50.02,56.010,15.023,28.030,35.049,54]henhexaconta-1(59),2(56),10(15),11,13,23,25,27,30(35),31,33,49,51,53,57-pentadecaen-12-ylmethyl)anthracene-9-carbonitrile
  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：

  25,27-bis(5-chloro-3-oxapentyloxy)calix[4]arene 在 disodium hydrogenphosphate 、 sodium amalgam 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 71.0h， 生成 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

文献信息

• Molecular Taekwondo. 2. A New Calix[4]azacrown Bearing Two Different Binding Sites as a New Fluorescent Ionophore
  作者：Jong Seung Kim、Kwan Ho Noh、Seoung Ho Lee、Sung Kuk Kim、Sook Kyung Kim、Juyoung Yoon

  DOI：10.1021/jo020538i

  日期：2003.1.1

  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.