5,11,17,23-tetra-tert-butyl-25,26,27,28-tetramethoxy-2,20-dioxo-8,14-diisopropoxycalix[4]arene | 1295651-21-6

• 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-diisopropoxycalix[4]arene
• 英文别名: (14R,20S)-5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-14,20-di(propan-2-yloxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-2,8-dione
• CAS: 1295651-21-6
• 化学式: C₅₄H₇₂O₈
• 分子量: 849.161
• InChiKey: XJNIRJHBTFTVEB-DKSDCYBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  62
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

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 、 2,2,2-三氟乙醇 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-diisopropoxycalix[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.