(1R,5S,8R,12S)-3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2,4(9),6,10,13-pentaene | 610269-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (1R,5S,8R,12S)-3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2,4(9),6,10,13-pentaene
• CAS: 610269-63-1
• 化学式: C₂₀H₂₂O₂
• 分子量: 294.393
• InChiKey: CCZUDQSLIIDPRN-LVEBTZEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1R,5S,8R,12S)-3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2,4(9),6,10,13-pentaene 在 三氟乙酸 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π−π Stacking:  Remarkable Thermal Behavior in a Solid

  摘要：

  On heating, syn-diporphyrin zinc complexes fused with bis(ethano)dimethoxyanthracene, the crystal structure of which showed a unique trimeric assembly, extruded one ethylene molecule at 240-310 degrees C to give a porphyrin-naphthoporphyrin diad, and the second retro-Diels-Alder reaction and concomitant decomposition of the methoxy groups occurred at 280-350 degrees C to give the anthraquinone-fused diporphyrin, while the first thermal conversion of the anti-diporphyrin zinc complex occurred in a much lower temperature range (180-230 degrees C).

  DOI：

  10.1021/ja036203f
• 作为产物：
  描述：

  5,8-ethano-5,8-dihydro-1,4-naphthoquinone 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 (1R,5S,8R,12S)-3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-2,4(9),6,10,13-pentaene
  参考文献：
  名称：

  Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π−π Stacking:  Remarkable Thermal Behavior in a Solid

  摘要：

  On heating, syn-diporphyrin zinc complexes fused with bis(ethano)dimethoxyanthracene, the crystal structure of which showed a unique trimeric assembly, extruded one ethylene molecule at 240-310 degrees C to give a porphyrin-naphthoporphyrin diad, and the second retro-Diels-Alder reaction and concomitant decomposition of the methoxy groups occurred at 280-350 degrees C to give the anthraquinone-fused diporphyrin, while the first thermal conversion of the anti-diporphyrin zinc complex occurred in a much lower temperature range (180-230 degrees C).

  DOI：

  10.1021/ja036203f

文献信息

• Hexagonal Columnar Porphyrin Assembly by Unique Trimeric Complexation of a Porphyrin Dimer with π−π Stacking:  Remarkable Thermal Behavior in a Solid
  作者：Hidemitsu Uno、Akane Masumoto、Noboru Ono

  DOI：10.1021/ja036203f

  日期：2003.10.1

  On heating, syn-diporphyrin zinc complexes fused with bis(ethano)dimethoxyanthracene, the crystal structure of which showed a unique trimeric assembly, extruded one ethylene molecule at 240-310 degrees C to give a porphyrin-naphthoporphyrin diad, and the second retro-Diels-Alder reaction and concomitant decomposition of the methoxy groups occurred at 280-350 degrees C to give the anthraquinone-fused diporphyrin, while the first thermal conversion of the anti-diporphyrin zinc complex occurred in a much lower temperature range (180-230 degrees C).