3,3'-di(benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'-dione | 947391-79-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3,3'-di(benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'-dione
• 英文别名: 4-[(1R,2E)-2-[(1S)-1-(4-formylphenyl)-1-hydroxy-3-oxoinden-2-ylidene]-1-hydroxy-3-oxoinden-1-yl]benzaldehyde
• CAS: 947391-79-9
• 化学式: C₃₂H₂₀O₆
• 分子量: 500.507
• InChiKey: JQRQCGKUQYIOHU-KRBXEZEMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3'-di(benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'-dione 、 4-氨基-TEMPO 在 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以60%的产率得到(2E,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-oxo-1-[4-[(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)iminomethyl]phenyl]inden-2-ylidene]-3-[4-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)iminomethyl]phenyl]inden-1-one
  参考文献：
  名称：

  New photo-responsive unit of biindenylidene with TEMPO radical substituents

  摘要：

  Incorporation of organic radical TEMPO into photochromic biindenylidene system leads to the synthesis of a novel dual functional compound 4. Its photochromism, structure, magnetic properties as well as ESR spectroscopy were deliberately investigated. Remarkable changes of the ESR spectra were observed for 4 upon photoirradiation with different light sources. The intermolecular interactions were interpreted with regard to its crystal structure. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.067
• 作为产物：
  描述：

  [2,2′-bi-1H-indene]-3,3′-dihydroxy-1,1′-dione 在 碘 、 对甲苯磺酸 、 magnesium 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 24.0h， 生成 3,3'-di(benzaldehyde)-3,3'-dihydroxy-[2,2'-bi-1Hindene]-1,1'-dione
  参考文献：
  名称：

  New photo-responsive unit of biindenylidene with TEMPO radical substituents

  摘要：

  Incorporation of organic radical TEMPO into photochromic biindenylidene system leads to the synthesis of a novel dual functional compound 4. Its photochromism, structure, magnetic properties as well as ESR spectroscopy were deliberately investigated. Remarkable changes of the ESR spectra were observed for 4 upon photoirradiation with different light sources. The intermolecular interactions were interpreted with regard to its crystal structure. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.067