5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dihydroxymethyldibenzyl ether | 35851-08-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dihydroxymethyldibenzyl ether
• 英文别名: 4-tert-butyl-2-[[5-tert-butyl-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-6-(hydroxymethyl)phenol
• CAS: 35851-08-2
• 化学式: C₂₄H₃₄O₅
• 分子量: 402.531
• InChiKey: AKBNKYCRRNCEPF-UHFFFAOYSA-N

物化性质

• 沸点：
  519.9±19.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.2
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dihydroxymethyldibenzyl ether 以 xylene 为溶剂， 反应 3.33h， 以10%的产率得到7,13,21,27,35,41-hexa-tert-butyl-43,44,45,46,47,48-hexahydroxy-2,3,16,17,30,31-hexahomo-3,17,31-trioxacalix[6]arene
  参考文献：
  名称：

  Large parent homooxacalixarenes: formation and transformation

  摘要：

  The mixtures obtained on thermally dehydrating concentrated solutions of a bishydroxymethylated diphenol could be reliably analysed through the signals of the phenol protons in the H NMR spectra. This allowed two oxygenated homologues of calix[6]arene and one homologue of calix[8]arene to be prepared in favourable conditions along with two homooxacalix[4]arenes. The obtained compounds are regular products of a cyclooligomerization reaction, namely dimer, trimer, and tetramer, and modified structures with one CH2OCH2 bridge less than expected. The latter compounds and lower regular cyclooligomers appear to be formed when cyclooligomers are thermally decomposed. The thermal lability of the compounds increases along the series dimer, trimer, tetramer. The strict relationship between parent homooxacalixarenes and typical calixarenes becomes increasingly evident in the light of the obtained results. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00135-1

文献信息

• Large parent homooxacalixarenes: formation and transformation
  作者：Bernardo Masci

  DOI：10.1016/s0040-4020(01)00135-1

  日期：2001.4

  The mixtures obtained on thermally dehydrating concentrated solutions of a bishydroxymethylated diphenol could be reliably analysed through the signals of the phenol protons in the H NMR spectra. This allowed two oxygenated homologues of calix[6]arene and one homologue of calix[8]arene to be prepared in favourable conditions along with two homooxacalix[4]arenes. The obtained compounds are regular products of a cyclooligomerization reaction, namely dimer, trimer, and tetramer, and modified structures with one CH2OCH2 bridge less than expected. The latter compounds and lower regular cyclooligomers appear to be formed when cyclooligomers are thermally decomposed. The thermal lability of the compounds increases along the series dimer, trimer, tetramer. The strict relationship between parent homooxacalixarenes and typical calixarenes becomes increasingly evident in the light of the obtained results. (C) 2001 Elsevier Science Ltd. All rights reserved.