2-(3-di-p-tolylmethyl-5-(2-hydroxyethoxy)-phenoxy)-ethanol | 889124-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-(3-di-p-tolylmethyl-5-(2-hydroxyethoxy)-phenoxy)-ethanol
• 英文别名: 2-[3-[Bis(4-methylphenyl)methyl]-5-(2-hydroxyethoxy)phenoxy]ethanol；2-[3-[bis(4-methylphenyl)methyl]-5-(2-hydroxyethoxy)phenoxy]ethanol
• CAS: 889124-15-6
• 化学式: C₂₅H₂₈O₄
• 分子量: 392.495
• InChiKey: ABPUHVBXPKQSCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-di-p-tolylmethyl-5-(2-hydroxyethoxy)-phenoxy)-ethanol 在 溴 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以56%的产率得到1,3-bis(2-bromo-ethoxy)-5-di-p-tolylmethyl-benzene
  参考文献：
  名称：

  Path Selection for Conformational Interconversions in [2]Catenanes

  摘要：

  The conformational interconversions of several [2]catenanes containing a dibenzo-34-crown-10 ether (BPP34C10) interlocked with rings containing two 4,4'-dipyridyls tethered by different aryl spacers have been studied. Blocking groups on the tethers enabled the two pathways for circumrotation of the BPP34C10 to be open or blocked. The activation barrier for migration along the open tethers varied from 11 to 13 kcal/mol. This study demonstrates an ability to select the pathway for conformational interconversions in [2]catenanes.

  DOI：

  10.1021/ol060550n
• 作为产物：
  描述：

  对溴甲苯 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 三溴化硼 、 magnesium 、 溶剂黄146 、 1,2-二溴乙烷 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 168116.17h， 生成 2-(3-di-p-tolylmethyl-5-(2-hydroxyethoxy)-phenoxy)-ethanol
  参考文献：
  名称：

  Path Selection for Conformational Interconversions in [2]Catenanes

  摘要：

  The conformational interconversions of several [2]catenanes containing a dibenzo-34-crown-10 ether (BPP34C10) interlocked with rings containing two 4,4'-dipyridyls tethered by different aryl spacers have been studied. Blocking groups on the tethers enabled the two pathways for circumrotation of the BPP34C10 to be open or blocked. The activation barrier for migration along the open tethers varied from 11 to 13 kcal/mol. This study demonstrates an ability to select the pathway for conformational interconversions in [2]catenanes.

  DOI：

  10.1021/ol060550n

文献信息

• Path Selection for Conformational Interconversions in [2]Catenanes
  作者：Ronald L. Halterman、David E. Martyn、Xingang Pan、Diana B. Ha、Michael Frow、Kathryn Haessig

  DOI：10.1021/ol060550n

  日期：2006.5.1

  The conformational interconversions of several [2]catenanes containing a dibenzo-34-crown-10 ether (BPP34C10) interlocked with rings containing two 4,4'-dipyridyls tethered by different aryl spacers have been studied. Blocking groups on the tethers enabled the two pathways for circumrotation of the BPP34C10 to be open or blocked. The activation barrier for migration along the open tethers varied from 11 to 13 kcal/mol. This study demonstrates an ability to select the pathway for conformational interconversions in [2]catenanes.