1,2-bis(6-ethoxycarbonyl-2-methylbenzo[b]thiophen-3-yl)cyclopent-1-ene | 1403327-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1,2-bis(6-ethoxycarbonyl-2-methylbenzo[b]thiophen-3-yl)cyclopent-1-ene
• 英文别名: Ethyl 3-[2-(6-ethoxycarbonyl-2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene-6-carboxylate
• CAS: 1403327-17-2
• 化学式: C₂₉H₂₈O₄S₂
• 分子量: 504.671
• InChiKey: MZLOTTUVPJKBLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-bis(6-ethoxycarbonyl-2-methylbenzo[b]thiophen-3-yl)cyclopent-1-ene 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Quantitative study of photochromic transformations of diarylethene derivatives with either perhydrocyclopentene or oxazolone or lactone units

  摘要：

  This work is devoted to the determination of ring-closure and ring-opening quantum yield values of 18 thermally irreversible photochromic diarylethene derivatives. Three classes have been systematically investigated. They have been obtained (i) by changing the bridging ring that stabilizes the central ethenic double bond in the cis configuration from perhydrocyclopentene, oxazolone and lactones, and (ii) by varying the lateral aryl moieties from thiophene, benzothiophene and thiazoles. Numerical modeling of UV/visible absorption vs time kinetic curves recorded under continuous monochromatic irradiation in combination with chemical actinometry was employed to determine the photo-cyclisation and cycloreversion quantum yields together with the molar absorption coefficient of the closed form. Structure-properties diagrams obtained by plotting lambda(A) vs lambda(B), epsilon(A) VS epsilon(B) and phi(AB) VS phi(BA) Visualize all the structural effects helping the evaluation of these compounds as possible photoswitches or high-density optical recording materials. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.02.013
• 作为产物：
  描述：

  以 甲苯 为溶剂， 生成 1,2-bis(6-ethoxycarbonyl-2-methylbenzo[b]thiophen-3-yl)cyclopent-1-ene
  参考文献：
  名称：

  Quantitative study of photochromic transformations of diarylethene derivatives with either perhydrocyclopentene or oxazolone or lactone units

  摘要：

  This work is devoted to the determination of ring-closure and ring-opening quantum yield values of 18 thermally irreversible photochromic diarylethene derivatives. Three classes have been systematically investigated. They have been obtained (i) by changing the bridging ring that stabilizes the central ethenic double bond in the cis configuration from perhydrocyclopentene, oxazolone and lactones, and (ii) by varying the lateral aryl moieties from thiophene, benzothiophene and thiazoles. Numerical modeling of UV/visible absorption vs time kinetic curves recorded under continuous monochromatic irradiation in combination with chemical actinometry was employed to determine the photo-cyclisation and cycloreversion quantum yields together with the molar absorption coefficient of the closed form. Structure-properties diagrams obtained by plotting lambda(A) vs lambda(B), epsilon(A) VS epsilon(B) and phi(AB) VS phi(BA) Visualize all the structural effects helping the evaluation of these compounds as possible photoswitches or high-density optical recording materials. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.02.013

文献信息

• The synthesis and study of multilayer polymer structures based on 1,2-bis(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-ene
  作者：M. M. Krayushkin、V. N. Yarovenko、L. V. Khristoforova、A. S. Shashkov、E. P. Grebennikov、A. G. Devyatkov、G. E. Adamov、K. S. Levchenko、P. S. Shmelin、V. A. Barachevskii、T. M. Valova、O. I. Kobeleva

  DOI：10.1007/s11172-011-0390-6

  日期：2011.12

  Acylation of 1,2-bis(2-methylbenzo[b]thiophen-3-yl)cyclopent-1-ene gave symmetric and asymmetric 1,2-dihetarylethenes, which are of interest as photosensitive components of photochromic recording media for optical read/write storage. The formation of the photoinduced diffraction grating in a dihetarylethene-containing photochromic photorefractive layer of a waveguide multilayer system was studied.

  1,2-双(2-甲基苯并[b]噻吩-3-基)环戊-1-烯的酰化得到对称和不对称的1,2-二杂芳基乙烯，它们作为光致变色记录介质的光敏组分用于光学读取/写存储。研究了在波导多层系统的含二杂芳基乙烯的光致变色光折变层中形成光致衍射光栅。