5,13,19,27,33,39-Hexatert-butyl-41,42-dimethoxy-9,23-dioxanonacyclo[35.3.1.17,11.121,25.131,35.03,8.010,15.017,22.024,29]tetratetraconta-1(41),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31(42),32,34,37,39-octadecaene-2,16,30,36,43,44-hexone | 943234-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5,13,19,27,33,39-Hexatert-butyl-41,42-dimethoxy-9,23-dioxanonacyclo[35.3.1.17,11.121,25.131,35.03,8.010,15.017,22.024,29]tetratetraconta-1(41),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31(42),32,34,37,39-octadecaene-2,16,30,36,43,44-hexone
• 英文别名: 5,13,19,27,33,39-hexatert-butyl-41,42-dimethoxy-9,23-dioxanonacyclo[35.3.1.17,11.121,25.131,35.03,8.010,15.017,22.024,29]tetratetraconta-1(41),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31(42),32,34,37,39-octadecaene-2,16,30,36,43,44-hexone
• CAS: 943234-56-8
• 化学式: C₆₈H₇₂O₁₀
• 分子量: 1049.31
• InChiKey: DWECVONZIDEUBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  78
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42-hexahydroxy-2,8,14,20,26,32-hexaoxo-calix[6]arene 、 碘甲烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 5,13,19,25,33,39-Hexatert-butyl-41,43-dimethoxy-9,29-dioxanonacyclo[35.3.1.17,11.117,21.127,31.03,8.010,15.023,28.030,35]tetratetraconta-1(40),3,5,7,10,12,14,17,19,21(43),23,25,27,30,32,34,37(41),38-octadecaene-2,16,22,36,42,44-hexone 、 5,13,19,25,33,39-Hexatert-butyl-41,43-dihydroxy-9,29-dioxanonacyclo[35.3.1.17,11.117,21.127,31.03,8.010,15.023,28.030,35]tetratetraconta-1(40),3(8),4,6,10(15),11,13,17,19,21(43),23(28),24,26,30(35),31,33,37(41),38-octadecaene-2,16,22,36,42,44-hexone 、 5,13,19,27,33,39-Hexatert-butyl-41,42-dimethoxy-9,23-dioxanonacyclo[35.3.1.17,11.121,25.131,35.03,8.010,15.017,22.024,29]tetratetraconta-1(41),3,5,7,10(15),11,13,17(22),18,20,24,26,28,31(42),32,34,37,39-octadecaene-2,16,30,36,43,44-hexone 、 5,13,19,25,31,37-Hexatert-butyl-39,40,41,42-tetramethoxy-9-oxaoctacyclo[33.3.1.17,11.117,21.123,27.129,33.03,8.010,15]tritetraconta-1(39),3,5,7,10,12,14,17(42),18,20,23(41),24,26,29,31,33(40),35,37-octadecaene-2,16,22,28,34,43-hexone
  参考文献：
  名称：

  Intramolecular S_NAr Reactions in a Large-Ring Ketocalix[6]arene

  摘要：

  Ketocalix[6]arene 2e was prepared by CrO3 oxidation of the methylene groups of 2a, followed by hydrolysis of the acetate groups. 2e undergoes intramolecular SNAr reactions under the usual methylation conditions (MeI, base), yielding mono- and dixanthone calixarene derivatives.

  DOI：

  10.1021/ol070870m