6,19-Dimethoxy-7,18-dimethyl-10,15-dioxatricyclo[14.4.0.04,9]icosa-1(16),4(9),5,7,17,19-hexaen-2-yne | 934687-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6,19-Dimethoxy-7,18-dimethyl-10,15-dioxatricyclo[14.4.0.04,9]icosa-1(16),4(9),5,7,17,19-hexaen-2-yne
• 英文别名: 6,19-dimethoxy-7,18-dimethyl-10,15-dioxatricyclo[14.4.0.04,9]icosa-1(16),4(9),5,7,17,19-hexaen-2-yne
• CAS: 934687-24-8
• 化学式: C₂₂H₂₄O₄
• 分子量: 352.43
• InChiKey: WXDGQFLAXPVSEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6,19-Dimethoxy-7,18-dimethyl-10,15-dioxatricyclo[14.4.0.04,9]icosa-1(16),4(9),5,7,17,19-hexaen-2-yne 在 1,4-二氧六环 、 dicobalt octacarbonyl 作用下， 反应 14.0h， 生成 5,18,25,38,45,58-Hexamethoxy-6,17,26,37,46,57-hexamethyl-9,14,29,34,49,54-hexaoxadecacyclo[40.18.0.02,21.03,8.015,20.022,41.023,28.035,40.043,48.055,60]hexaconta-1,3(8),4,6,15(20),16,18,21,23(28),24,26,35(40),36,38,41,43(48),44,46,55(60),56,58-henicosaene
  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：

  2-hydroxy-4-methyl-5-methoxybenzaldehyde 在 吡啶 、 氢氧化钾 、 potassium tert-butylate 、 溴 、 四氯化钛 、 锌 作用下， 以 四氢呋喃 、 乙醇 、 溶剂黄146 为溶剂， 反应 88.5h， 生成 6,19-Dimethoxy-7,18-dimethyl-10,15-dioxatricyclo[14.4.0.04,9]icosa-1(16),4(9),5,7,17,19-hexaen-2-yne
  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.