| 956347-72-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• CAS: 956347-72-1
• 化学式: C₈H₇N₃O₂S
• 分子量: 209.228
• InChiKey: QOTKGPCDWRDDFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.36
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  81.52
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以2.2 g的产率得到
  参考文献：
  名称：

  7-Nitro- and 7-aminosubstituted spiropyrans of 1-benzothieno[3,2-b]pyrrole

  摘要：

  Amino and nitro derivatives of spiropyrans based on 1-benzothieno[3,2-b]pyrrole were synthesized employing an efficient method for the reduction of nitro group in thienopyrroles and spiropyrans Novel. bi-functional compounds, containing salicylideneaniline and dithienylethene fragments, along with spiropyran were prepared from the aminospiropyran derivative. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.06.007
• 作为产物：
  描述：

  5-nitro-1-benzothiophen-3(2H)-one 在 对甲苯磺酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以79%的产率得到
  参考文献：
  名称：

  7-Nitro- and 7-aminosubstituted spiropyrans of 1-benzothieno[3,2-b]pyrrole

  摘要：

  Amino and nitro derivatives of spiropyrans based on 1-benzothieno[3,2-b]pyrrole were synthesized employing an efficient method for the reduction of nitro group in thienopyrroles and spiropyrans Novel. bi-functional compounds, containing salicylideneaniline and dithienylethene fragments, along with spiropyran were prepared from the aminospiropyran derivative. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.06.007

文献信息

• Synthesis and spectral kinetic study of photoinduced processes of photochromic nitro-substituted indoline and benzothienopyrroline spiropyrans in solutions
  作者：V. Z. Shirinian、V. A. Barachevsky、A. A. Shimkin、M. M. Krayushkin、A. K. Mailian、D. V. Tsyganov、O. A. Vinter、O. V. Venidiktova

  DOI：10.1007/s11172-010-0168-2

  日期：2010.4

  Nitro-substituted benzothienopyrroline spiropyrans containing substituents in the ben-zothienopyrroline moiety were synthesized. The comparative spectral kinetic study of the pho-tochromic transformations of these compounds and their indoline analogs in solvents of various polarity was carried out. On the basis of the results obtained and literature data, the photoin-duced aggregation of molecules of the merocyanine form in weakly polar solvents was suggested.

  合成了在苯并噻吩并吡咯啉部分中含有取代基的硝基取代的苯并噻吩并吡咯啉螺吡喃。对这些化合物及其二氢吲哚类似物在不同极性溶剂中的光致变色转化进行了比较光谱动力学研究。根据所获得的结果和文献数据，提出了部花青形式分子在弱极性溶剂中的光诱导聚集。