5-hydroxy-6-nitro-2,3-tetramethylenebenzo[b]furan-4-carbaldehyde | 182563-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-hydroxy-6-nitro-2,3-tetramethylenebenzo[b]furan-4-carbaldehyde
• 英文别名: 2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-carbaldehyde
• CAS: 182563-88-8
• 化学式: C₁₃H₁₁NO₅
• 分子量: 261.234
• InChiKey: RAOAPYODXMMQLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  96.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-hydroxy-6-nitro-2,3-tetramethylenebenzo[b]furan-4-carbaldehyde 在 哌啶 作用下， 以 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Photo-and thermochromic spiranes. 25. New indolinospiropyrans containing a condensed furan fragment

  摘要：

  DOI：

  10.1007/s10593-006-0170-7
• 作为产物：
  描述：

  5-hydroxy-2,3-tetramethylenebenzo[b]furan-4-carbaldehyde 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以72%的产率得到5-hydroxy-6-nitro-2,3-tetramethylenebenzo[b]furan-4-carbaldehyde
  参考文献：
  名称：

  Rybalkin; Shepelenko; Popova, Russian Journal of Organic Chemistry, 1996, vol. 32, # 1, p. 90 - 94

  摘要：

  DOI：

文献信息

• Benzoid-quinoid tautomerism of azomethines and their structural analogs: LIV. Dibenzo(benzo)-18-crown-6-containing Imines of 5-hydroxy-2,3-tetramethylene- and 5-Hydroxy-2,3-diphenylbenzo[b]furan-4-carbaldehydes
  作者：A. D. Dubonosov、A. V. Tsukanov、E. N. Shepelenko、Yu. V. Revinskii、V. A. Bren’、V. I. Minkin

  DOI：10.1134/s1070428009020079

  日期：2009.2

  Dibenzo(benzo)-18-crown-6-containing N-arylimines of 5-hydroxy-2,3-tetramethylene- and 5-hydroxy-2,3-diphenylbenzo[b]-furan-4-carbaldehydes were synthesized and their spectral luminescence properties were investigated. In solutions of 6-bromo- and 6-nitro-substituted compounds a tautomeric equilibrium exists between the benzoid and quinoid forms. In the course of complexing of crown-ether-imines of 5-hydroxy-6-nitro-2,3-diphenylbenzo[b]furan-4-carbaldehyde and 5-hydroxy-6-nitro-2,3-tetramethylenebenzo[b]furan-4-carbaldehyde with cations of alkali and alkaline earth metals the content of the quinoid form was found to decrease. This phenomenon was accompanied by essential changes in the absorption and fluorescence spectra characteristic of chemosensor systems with an intramolecular charge transfer (ICT).
• Photo-and thermochromic spiranes 30*. Comparative study by X-ray structural analysis of the structure of spiropyrans of the indoline series containing a condensed furan fragment
  作者：B. S. Lukyanov、A. N. Utenyshev、V. V. Tkachev、S. M. Aldoshin、V. I. Minkin、M. B. Lukyanova、Yu. S. Alekseenko

  DOI：10.1007/s10593-008-0034-4

  日期：2008.2

  The structure of an indoline spiropyran of molecular formula C29H33NO2 has been studied by X-ray crystallographic analysis. Structural parameters have been determined for this spiropyran, containing a condensed furan fragment with a tert-butyl group, in comparison with the structure of other spiropyrans of this series. The observation in the absorption spectrum of a photoinduced cis-cis isomer is linked with its stabilization by the steric effect of the bulky tert-butyl group and the strength of barriers at 77 K.
• ——
  作者：V. A. Bren'、A. D. Dubonosov、N. I. Makarova、V. I. Minkin、L. L. Popova、V. P. Rybalkin、E. N. Shepelenko、A. V. Tsukanov

  DOI：10.1023/a:1015383515338

  日期：——