5,5',6,6'-tetramethoxy-[2,2'-biindanylidene]-1,1',3,3'-tetraone | 1142148-63-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 5,5',6,6'-tetramethoxy-[2,2'-biindanylidene]-1,1',3,3'-tetraone
• CAS: 1142148-63-7
• 化学式: C₂₂H₁₈O₈
• 分子量: 410.38
• InChiKey: WAKHRWKZJQVDGK-UHFFFAOYSA-N

物化性质

• 沸点：
  600.8±55.0 °C(predicted)
• 密度：
  1.507±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  111.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  正溴丁烷 、 5,5',6,6'-tetramethoxy-[2,2'-biindanylidene]-1,1',3,3'-tetraone 在 碘 、 magnesium 、 氧气 作用下， 以 乙醚 、 苯 为溶剂， 反应 27.17h， 以41.2%的产率得到trans-anti-3,3'-di(n-butyl)-3,3'-dihydroxy-5,5',6,6'-tetramethoxy-[2,2'-bi-1H-indene]-1,1'-dione
  参考文献：
  名称：

  Synthesis, photochromism and photomagnetism of new biindenylidenedione derivatives in crystalline state

  摘要：

  A new class of biindenylidenedione compounds, namely 3,3'-dialkyl-3,3'-dihydroxy-6,6',7,7'-tetramethoxy-[2,2'-bi-1H-indene]-1,1'-dione 3a-3d (alkyl = ethyl, n-propyl, n-butyl and n-pentyl), have been synthesized and characterized by IR. H-1 NMR, C-13 NMR, MS, HRMS, elemental analysis and the single X-ray crystallography. The photochromic and photomagnetic properties were studied by means of solid UV-vis spectroscopy, electron spin resonance (ESR) and superconducting quantum interference device (SQUID) susceptometer, respectively. The results showed that all these compounds Simultaneously exhibited photochromism and photomagnetism in crystalline state. The Structure-property relationships are discussed in context of the intra- and inter-molecular interactions. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.10.031
• 作为产物：
  描述：

  3,3'-(ethane-1,2-diylidene)bis(5,6-dimethoxyisobenzofuran-1(3H)-one) 在 sodium methylate 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以4.7 g的产率得到5,5',6,6'-tetramethoxy-[2,2'-biindanylidene]-1,1',3,3'-tetraone
  参考文献：
  名称：

  Synthesis, photochromism and photomagnetism of new biindenylidenedione derivatives in crystalline state

  摘要：

  A new class of biindenylidenedione compounds, namely 3,3'-dialkyl-3,3'-dihydroxy-6,6',7,7'-tetramethoxy-[2,2'-bi-1H-indene]-1,1'-dione 3a-3d (alkyl = ethyl, n-propyl, n-butyl and n-pentyl), have been synthesized and characterized by IR. H-1 NMR, C-13 NMR, MS, HRMS, elemental analysis and the single X-ray crystallography. The photochromic and photomagnetic properties were studied by means of solid UV-vis spectroscopy, electron spin resonance (ESR) and superconducting quantum interference device (SQUID) susceptometer, respectively. The results showed that all these compounds Simultaneously exhibited photochromism and photomagnetism in crystalline state. The Structure-property relationships are discussed in context of the intra- and inter-molecular interactions. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.10.031