2-[[4-[2-[[12,19-Bis[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaenyl]oxy]ethoxy]-3-methoxyphenyl]methoxy]oxane | 863481-57-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[[4-[2-[[12,19-Bis[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaenyl]oxy]ethoxy]-3-methoxyphenyl]methoxy]oxane
• CAS: 863481-57-6
• 化学式: C₆₆H₇₈O₁₅
• 分子量: 1111.34
• InChiKey: YKNBLMJDEBKWSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  81
• 可旋转键数：
  27
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-[[4-[2-[[12,19-Bis[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaenyl]oxy]ethoxy]-3-methoxyphenyl]methoxy]oxane 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 cryptophane-C
  参考文献：
  名称：

  Improved Synthesis of Functional CTVs and Cryptophanes Using Sc(OTf)₃ as Catalyst

  摘要：

  Functional cyclotriveratrylene (CTV) and cryptophane derivatives are synthesized in the presence of scandium triflate [Sc(OTf)(3)]. This route allows the preparation of new derivatives that could not be prepared or easily obtained by using the previously reported experimental procedures. With a catalytic amount of scandium triflate (1% mol), CTVs were obtained with yields similar to or higher than those reported previously in reactions run under strong acidic conditions. Cryptophanes were also synthesized in fairly good yields by performing the ring-closure step in the presence of a stoichiometric amount of Sc(OTf)(3). Interestingly, this novel approach strongly reduces the formation of side products and gives rise to novel functionalized molecules for the construction of supramolecular host-guest systems.

  DOI：

  10.1021/jo050495g
• 作为产物：
  描述：

  2,7,12-triallyloxy-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene 在 bis-triphenylphosphine-palladium(II) chloride 、 palladium catalyst 吡啶 、 甲酸 、 三正丁胺 、 1,3-双(二苯基膦)丙烷 、 三溴化硼 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 54.0h， 生成 2-[[4-[2-[[12,19-Bis[2-[2-methoxy-4-(oxan-2-yloxymethyl)phenoxy]ethoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaenyl]oxy]ethoxy]-3-methoxyphenyl]methoxy]oxane
  参考文献：
  名称：

  Improved Synthesis of Functional CTVs and Cryptophanes Using Sc(OTf)₃ as Catalyst

  摘要：

  Functional cyclotriveratrylene (CTV) and cryptophane derivatives are synthesized in the presence of scandium triflate [Sc(OTf)(3)]. This route allows the preparation of new derivatives that could not be prepared or easily obtained by using the previously reported experimental procedures. With a catalytic amount of scandium triflate (1% mol), CTVs were obtained with yields similar to or higher than those reported previously in reactions run under strong acidic conditions. Cryptophanes were also synthesized in fairly good yields by performing the ring-closure step in the presence of a stoichiometric amount of Sc(OTf)(3). Interestingly, this novel approach strongly reduces the formation of side products and gives rise to novel functionalized molecules for the construction of supramolecular host-guest systems.

  DOI：

  10.1021/jo050495g

文献信息

• Access to the <i>Syn</i> diastereomers of cryptophane cages using HFIP
  作者：Oriane Della-Negra、Yoann Cirillo、Thierry Brotin、Jean-Pierre Dutasta、Pierre-Loic Saaidi、Bastien Chatelet、Alexandre Martinez

  DOI：10.1039/d1cc06607b

  日期：——

  The use of the HFIP/bisulfate salt combination provides convenient and fast access to syn-cryptophanes.

  使用HFIP / bisulfate盐组合物提供了方便快捷的方法来获得syn-cryptophanes。
• Improved Synthesis of Functional CTVs and Cryptophanes Using Sc(OTf)₃ as Catalyst
  作者：Thierry Brotin、Vincent Roy、Jean-Pierre Dutasta

  DOI：10.1021/jo050495g

  日期：2005.8.1

  Functional cyclotriveratrylene (CTV) and cryptophane derivatives are synthesized in the presence of scandium triflate [Sc(OTf)(3)]. This route allows the preparation of new derivatives that could not be prepared or easily obtained by using the previously reported experimental procedures. With a catalytic amount of scandium triflate (1% mol), CTVs were obtained with yields similar to or higher than those reported previously in reactions run under strong acidic conditions. Cryptophanes were also synthesized in fairly good yields by performing the ring-closure step in the presence of a stoichiometric amount of Sc(OTf)(3). Interestingly, this novel approach strongly reduces the formation of side products and gives rise to novel functionalized molecules for the construction of supramolecular host-guest systems.