(16-anthracen-9-ylmethyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane-7-yl)-acetic acid tert-butyl ester | 478014-47-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (16-anthracen-9-ylmethyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane-7-yl)-acetic acid tert-butyl ester
• 英文别名: Tert-butyl 2-[16-(anthracen-9-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetate；tert-butyl 2-[16-(anthracen-9-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetate
• CAS: 478014-47-0
• 化学式: C₃₃H₄₆N₂O₆
• 分子量: 566.738
• InChiKey: UYSRJRBNKTXQIP-UHFFFAOYSA-N

物化性质

• 沸点：
  690.7±55.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (16-anthracen-9-ylmethyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane-7-yl)-acetic acid tert-butyl ester 在 甲酸 作用下， 反应 15.0h， 以97%的产率得到(16-anthracen-9-ylmethyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadec-7-yl)-acetic acid
  参考文献：
  名称：

  Chemosensors for the Marine Toxin Saxitoxin

  摘要：

  Eleven anthracylmethyl crown ethers have been synthesized and evaluated as fluorescence sensors for the marine toxin saxitoxin. Fluorescence enhancement data are consistent with a 1:1 binding complex for all crowns. The binding constants are in the range of 10(4) M-1 in ammonium phosphate buffer (pH 7.1) in 80% ethanol solvent. Selectivity for sensing saxitoxin versus several organic analytes has been demonstrated for the first time. Possible modes of binding are presented, and relevance to saxitoxin monitoring programs are discussed.

  DOI：

  10.1021/ja027507p
• 作为产物：
  描述：

  9-氯甲基蒽 在 caesium carbonate 、 三乙胺 、 cesium iodide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 39.0h， 生成 (16-anthracen-9-ylmethyl-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane-7-yl)-acetic acid tert-butyl ester
  参考文献：
  名称：

  Chemosensors for the Marine Toxin Saxitoxin

  摘要：

  Eleven anthracylmethyl crown ethers have been synthesized and evaluated as fluorescence sensors for the marine toxin saxitoxin. Fluorescence enhancement data are consistent with a 1:1 binding complex for all crowns. The binding constants are in the range of 10(4) M-1 in ammonium phosphate buffer (pH 7.1) in 80% ethanol solvent. Selectivity for sensing saxitoxin versus several organic analytes has been demonstrated for the first time. Possible modes of binding are presented, and relevance to saxitoxin monitoring programs are discussed.

  DOI：

  10.1021/ja027507p

文献信息

• Chemosensors for the Marine Toxin Saxitoxin
  作者：Robert E. Gawley、Sandra Pinet、Claudia M. Cardona、Probal K. Datta、Tong Ren、Wayne C. Guida、Jason Nydick、Roger M. Leblanc

  DOI：10.1021/ja027507p

  日期：2002.11.1

  Eleven anthracylmethyl crown ethers have been synthesized and evaluated as fluorescence sensors for the marine toxin saxitoxin. Fluorescence enhancement data are consistent with a 1:1 binding complex for all crowns. The binding constants are in the range of 10(4) M-1 in ammonium phosphate buffer (pH 7.1) in 80% ethanol solvent. Selectivity for sensing saxitoxin versus several organic analytes has been demonstrated for the first time. Possible modes of binding are presented, and relevance to saxitoxin monitoring programs are discussed.