47,48,49,50,51,52-Hexamethoxy-5,10,15,23,28,33-hexamethyl-40,43-dioxa-1,19-diazaoctacyclo<17.17.10.1^3,7.1^8,12.1^13,17.1^21,25.1^26,30.1^31,35>dopentaconta-3,5,7(47),8,10,12(48),13,15,17(49),21,23,25(50),26,28,30(51),31,33,35(52)-octadecaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 47,48,49,50,51,52-Hexamethoxy-5,10,15,23,28,33-hexamethyl-40,43-dioxa-1,19-diazaoctacyclo<17.17.10.1^3,7.1^8,12.1^13,17.1^21,25.1^26,30.1^31,35>dopentaconta-3,5,7(47),8,10,12(48),13,15,17(49),21,23,25(50),26,28,30(51),31,33,35(52)-octadecaene
• 英文别名: 47,48,49,50,51,52-Hexamethoxy-5,10,15,23,28,33-hexamethyl-40,43-dioxa-1,19-diazaoctacyclo[17.17.10.1^3,7.1^8,12.1^13,17.1^21,25.1^26,30.1^31,35]dopentaconta-3,5,7(47),8,10,12(48),13,15,17(49),21,23,25(50),26,28,30(51),31,33,35(52)-octadecaene；47,48,49,50,51,52-Hexamethoxy-5,10,15,23,28,33-hexamethyl-40,43-dioxa-1,19-diazaoctacyclo[17.17.10.13,7.18,12.113,17.121,25.126,30.131,35]dopentaconta-3(52),4,6,8,10,12(51),13,15,17(50),21(49),22,24,26(48),27,29,31,33,35(47)-octadecaene
• 化学式: C₆₀H₇₂N₂O₈
• 分子量: 949.24
• InChiKey: DRDJTVOGCUTFDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  70
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  乙二醇双(3-胺丙基)醚 、 3,3"-bis(bromomethyl)-2,2',2"-trimethoxy-5,5'5"-trimethyl-1,1':3',1"-terphenyl 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 36.0h， 以53%的产率得到47,48,49,50,51,52-Hexamethoxy-5,10,15,23,28,33-hexamethyl-40,43-dioxa-1,19-diazaoctacyclo<17.17.10.1^3,7.1^8,12.1^13,17.1^21,25.1^26,30.1^31,35>dopentaconta-3,5,7(47),8,10,12(48),13,15,17(49),21,23,25(50),26,28,30(51),31,33,35(52)-octadecaene
  参考文献：
  名称：

  New Cryptaspherands and Their Complexation Properties with the Alkali Metal Ions

  摘要：

  New cryptaspherands 5-7 were prepared in 50-63% yields by treating 1 mol of the appropriate dioxa- or oxaalkanediamine with 2 mols of 2,6-bis[3-(bromomethyl)-2-methoxy-5-methylphenyl]-4-methylanisole in acetonitrile using Na2CO3 as the base. The affinities of these ligands for the alkali metal ions in a CHCl3-DMSO mixture were determined by a titration calorimetric procedure. The resulting log K, Delta H, and T Delta S values are compared to those for the interaction of two cryptahemispherands (3 and 4) prepared by the reported procedures. The more rigid cryptaspherands 5-7 were more selective for Cs+ over K+ or Na+ than the cryptahemispherands. The structure of new nitro-substituted cryptahemispherand 3 was determined by X-ray diffraction methods.

  DOI：

  10.1021/jo00094a015

文献信息

• Krakowiak Krzysztof E., Bradshaw Jerald S., Zhu Chengyue, Hathaway Jon K.+, J. Org. Chem., 59 (1994) N 15, S 4082-4086
  作者：Krakowiak Krzysztof E., Bradshaw Jerald S., Zhu Chengyue, Hathaway Jon K.+

  DOI：——

  日期：——
• New Cryptaspherands and Their Complexation Properties with the Alkali Metal Ions
  作者：Krzysztof E. Krakowiak、Jerald S. Bradshaw、Chengyue Zhu、Jon K. Hathaway、N. Kent Dalley、Reed M. Izatt

  DOI：10.1021/jo00094a015

  日期：1994.7

  New cryptaspherands 5-7 were prepared in 50-63% yields by treating 1 mol of the appropriate dioxa- or oxaalkanediamine with 2 mols of 2,6-bis[3-(bromomethyl)-2-methoxy-5-methylphenyl]-4-methylanisole in acetonitrile using Na2CO3 as the base. The affinities of these ligands for the alkali metal ions in a CHCl3-DMSO mixture were determined by a titration calorimetric procedure. The resulting log K, Delta H, and T Delta S values are compared to those for the interaction of two cryptahemispherands (3 and 4) prepared by the reported procedures. The more rigid cryptaspherands 5-7 were more selective for Cs+ over K+ or Na+ than the cryptahemispherands. The structure of new nitro-substituted cryptahemispherand 3 was determined by X-ray diffraction methods.