5,11,17,23-tetra-tert-butyl-25,26,27,28-tetramethoxy-2,20-dioxo-8,14-bis(trifluoroacethoxy)calix[4]arene | 1295651-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetramethoxy-2,20-dioxo-8,14-bis(trifluoroacethoxy)calix[4]arene
• 英文别名: [(2S,20R)-5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-8,14-dioxo-20-(2,2,2-trifluoroacetyl)oxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaenyl] 2,2,2-trifluoroacetate
• CAS: 1295651-24-9
• 化学式: C₅₂H₅₈F₆O₁₀
• 分子量: 957.017
• InChiKey: SOKKHVRZJXCMHD-PIYFIQLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  68
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetramethoxycalix[4]arene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 54.0h， 生成 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetramethoxy-2,20-dioxo-8,14-bis(trifluoroacethoxy)calix[4]arene
  参考文献：
  名称：

  Calix[4]arenes with Two Different Chemical Modifications at the Bridges

  摘要：

  Hexabromocalix[4]arene derivatives (3a and 3b) possessing pairs of dibromomethylene and bromomethylene groups located at distal or proximal positions of the calix scaffold were prepared via photochemical bromination of tetramethoxycalix-[4]arene. The dibromomethylene groups undergo hydrolysis to afford calix[4] arenes possessing pairs of carbonyl groups and bromomethylene groups located at distal or proximal bridges (4a and 4b, respectively). The bromomethylene groups of 4 undergo reactions with nucleophiles under S(N)1 conditions to afford a wide array of derivatives possessing two different chemical modifications at the bridges.

  DOI：

  10.1021/jo200580m

文献信息

• Calix[4]arenes with Two Different Chemical Modifications at the Bridges
  作者：Lev Kuno、Silvio E. Biali

  DOI：10.1021/jo200580m

  日期：2011.5.20

  Hexabromocalix[4]arene derivatives (3a and 3b) possessing pairs of dibromomethylene and bromomethylene groups located at distal or proximal positions of the calix scaffold were prepared via photochemical bromination of tetramethoxycalix-[4]arene. The dibromomethylene groups undergo hydrolysis to afford calix[4] arenes possessing pairs of carbonyl groups and bromomethylene groups located at distal or proximal bridges (4a and 4b, respectively). The bromomethylene groups of 4 undergo reactions with nucleophiles under S(N)1 conditions to afford a wide array of derivatives possessing two different chemical modifications at the bridges.