3,6,9,30,33,36-hexaoxadecacyclo[36.15.7.144,48.155,59.02,50.010,19.013,18.020,29.021,26.037,42]dohexaconta-1(53),2(50),10(19),11,13,15,17,20(29),21,23,25,27,37(42),38,40,44,46,48(62),51,55(61),56,58-docosaene-61,62-diol | 171006-80-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,6,9,30,33,36-hexaoxadecacyclo[36.15.7.144,48.155,59.02,50.010,19.013,18.020,29.021,26.037,42]dohexaconta-1(53),2(50),10(19),11,13,15,17,20(29),21,23,25,27,37(42),38,40,44,46,48(62),51,55(61),56,58-docosaene-61,62-diol
• CAS: 171006-80-7；151598-45-7；564467-64-7；564467-65-8
• 化学式: C₅₆H₅₀O₈
• 分子量: 851.008
• InChiKey: LCSXVJGNLRGHDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.01
• 重原子数：
  64.0
• 可旋转键数：
  0.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  95.84
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3,6,9,30,33,36-hexaoxadecacyclo[36.15.7.144,48.155,59.02,50.010,19.013,18.020,29.021,26.037,42]dohexaconta-1(53),2(50),10(19),11,13,15,17,20(29),21,23,25,27,37(42),38,40,44,46,48(62),51,55(61),56,58-docosaene-61,62-diol 在 thallium(III) nitrate 作用下， 以 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis of chiral 1,3-calix[4](crown-6) ethers as potential mediators for asymmetric recognition processes

  摘要：

  Novel chromogenic 1,3-calix[4](crown-6) derivatives comprised of 1,1'-binaphthyl-, methyl-alpha-D-glucoside-and D-mannitol moieties in the crown ether ring have been synthesized. UV-vis spectroscopic measurements of the 2,4-dinitrophenylazo chromogenic molecules indicated noticeable chiral discrimination associated with coloration towards primary amine enantiomers. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00174-5
• 作为产物：
  描述：

  杯[4]芳烃 、 (-)-(S)-2,2'-bis[5-tosyloxy-3-oxa-1-pentyloxy]-1,1'-binaphthyl 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 以52%的产率得到3,6,9,30,33,36-hexaoxadecacyclo[36.15.7.144,48.155,59.02,50.010,19.013,18.020,29.021,26.037,42]dohexaconta-1(53),2(50),10(19),11,13,15,17,20(29),21,23,25,27,37(42),38,40,44,46,48(62),51,55(61),56,58-docosaene-61,62-diol
  参考文献：
  名称：

  Molecular recognition of butylamines by a binaphthyl-derived chromogenic calix[4]crown

  摘要：

  描述了一种新型显色杯芳烃（一种靛酚和联萘衍生的杯[4]冠1）的合成，及其针对丁胺形状的新型感官系统。

  DOI：

  10.1039/c39950001727