2,2'-[1,4-butanediylbis(oxy)]-bis(5-methoxy-4-methylbenzaldehyde) | 934687-22-6

• 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: 2,2'-[1,4-butanediylbis(oxy)]-bis(5-methoxy-4-methylbenzaldehyde)
• 英文别名: 2-[4-(2-Formyl-4-methoxy-5-methylphenoxy)butoxy]-5-methoxy-4-methylbenzaldehyde；2-[4-(2-formyl-4-methoxy-5-methylphenoxy)butoxy]-5-methoxy-4-methylbenzaldehyde
• CAS: 934687-22-6
• 化学式: C₂₂H₂₆O₆
• 分子量: 386.445
• InChiKey: KZMOOUOWYDYYAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2'-[1,4-butanediylbis(oxy)]-bis(5-methoxy-4-methylbenzaldehyde) 在 吡啶 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成 2,13-dimethoxy-3,12-dimethyl-6,7,8,9-tetrahydrodibenzo[g,k][1,6]dioxacyclododecine
  参考文献：
  名称：

  Electron Transfer Prompted Ejection of a Tightly Bound K⁺ from the Ethereal Cavity of a Hexaarylbenzene-Based Receptor

  摘要：

  Synthesis of a pair of rotamers (9u/9s) of a hexaarylbenzene derivative containing six (cofacially arranged) electroactive 2,5-dimethoxytolyl groups is described. The toroidal electronic stabilization due to the circular arrangement of aryl groups in 9u/9s leads to the observation of multiple (reversible) oxidation waves and lowering of their E-ox1 by similar to 250 mV relative to model compounds. The binding of K+ to symmetrical rotamer 9s was monitored by an electrochemical method and further confirmed by X-ray crystallography.

  DOI：

  10.1021/ol070122x
• 作为产物：
  描述：

  4-甲氧基-3-甲基苯酚 在 氢氧化钾 、 三乙胺 、 magnesium chloride 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 24.0h， 生成 2,2'-[1,4-butanediylbis(oxy)]-bis(5-methoxy-4-methylbenzaldehyde)
  参考文献：
  名称：

  Electron Transfer Prompted Ejection of a Tightly Bound K⁺ from the Ethereal Cavity of a Hexaarylbenzene-Based Receptor

  摘要：

  Synthesis of a pair of rotamers (9u/9s) of a hexaarylbenzene derivative containing six (cofacially arranged) electroactive 2,5-dimethoxytolyl groups is described. The toroidal electronic stabilization due to the circular arrangement of aryl groups in 9u/9s leads to the observation of multiple (reversible) oxidation waves and lowering of their E-ox1 by similar to 250 mV relative to model compounds. The binding of K+ to symmetrical rotamer 9s was monitored by an electrochemical method and further confirmed by X-ray crystallography.

  DOI：

  10.1021/ol070122x

文献信息

• Electron Transfer Prompted Ejection of a Tightly Bound K⁺ from the Ethereal Cavity of a Hexaarylbenzene-Based Receptor
  作者：Ruchi Shukla、Sergey V. Lindeman、Rajendra Rathore

  DOI：10.1021/ol070122x

  日期：2007.3.1

  Synthesis of a pair of rotamers (9u/9s) of a hexaarylbenzene derivative containing six (cofacially arranged) electroactive 2,5-dimethoxytolyl groups is described. The toroidal electronic stabilization due to the circular arrangement of aryl groups in 9u/9s leads to the observation of multiple (reversible) oxidation waves and lowering of their E-ox1 by similar to 250 mV relative to model compounds. The binding of K+ to symmetrical rotamer 9s was monitored by an electrochemical method and further confirmed by X-ray crystallography.