| 1295651-09-0

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1295651-09-0
• 化学式: C₄₈H₅₈Br₆O₄
• 分子量: 1178.41
• InChiKey: HDLJSGWALLIMKH-MAZIBIHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.17
• 重原子数：
  58.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

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 18.0h， 以43%的产率得到2,2,8,14,14,20-Hexabromo-5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene
  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