5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis[(m-methylbenzyl)oxy]calix[4]arene | 330476-73-8

• 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-25,27-dihydroxy-26,28-bis[(m-methylbenzyl)oxy]calix[4]arene
• 英文别名: 5,11,17,23-tetratert-butyl-26,28-bis[(3-methylphenyl)methoxy]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-25,27-diol
• CAS: 330476-73-8；330476-74-9
• 化学式: C₆₀H₇₂O₄
• 分子量: 857.229
• InChiKey: VZTOOGMUCGSVRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.74
• 重原子数：
  64.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N,N-二(三甲基硅基)乙酰胺 、 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis[(m-methylbenzyl)oxy]calix[4]arene 以 乙腈 为溶剂， 反应 6.0h， 以80%的产率得到5,11,17,23-tetra-tert-butyl-25,27-bis[(m-methylbenzyl)oxy]-26,28-bis(trimethylsilyloxy)calix[4]arene
  参考文献：
  名称：

  摘要：

  (m-Methylbenzyloxy)-, bis(p-methylbenzyloxy)-, and bis(m-methylbenzyloxy)-p-tert-butylcalix[4]-arenes were prepared by reactions of p-tert-butylcalix[4]arene with p- and m-methylbenzyl bromides in the presence of alkali metal carbonates. Silylation of these derivatives gave (m-methylbenzyloxy)bis(trimethylsilyloxy)-, bis(m-methylbenzyloxy)bis(trimethylsilyloxy)-, and bis(p-methylbenzyloxy)bis(trimethylsilyloxy)-p-tert-butylcalix[4]arenes. With phase-transfer catalysis, bis(p-methylbenzyloxy)bis(2-propenyloxy)- and bis(m-methylbenzyloxy)bis(2-propenyloxy)-p-tert-butylcalix[4]arenes were obtained. Alkylation of the monosubstituted calixarene yields the corresponding trisubstituted derivative.

  DOI：

  10.1023/a:1013958911953
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 、 3-甲基苄溴 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 23.0h， 生成 5,11,17,23-tetra-tert-butyl-25-[(m-methylbenzyl)oxy]-26,27,28-trihydroxycalix[4]arene 、 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis[(m-methylbenzyl)oxy]calix[4]arene
  参考文献：
  名称：

  摘要：

  (m-Methylbenzyloxy)-, bis(p-methylbenzyloxy)-, and bis(m-methylbenzyloxy)-p-tert-butylcalix[4]-arenes were prepared by reactions of p-tert-butylcalix[4]arene with p- and m-methylbenzyl bromides in the presence of alkali metal carbonates. Silylation of these derivatives gave (m-methylbenzyloxy)bis(trimethylsilyloxy)-, bis(m-methylbenzyloxy)bis(trimethylsilyloxy)-, and bis(p-methylbenzyloxy)bis(trimethylsilyloxy)-p-tert-butylcalix[4]arenes. With phase-transfer catalysis, bis(p-methylbenzyloxy)bis(2-propenyloxy)- and bis(m-methylbenzyloxy)bis(2-propenyloxy)-p-tert-butylcalix[4]arenes were obtained. Alkylation of the monosubstituted calixarene yields the corresponding trisubstituted derivative.

  DOI：

  10.1023/a:1013958911953