4,4'-((3-(bis(4-methoxyphenyl)methylene)-1H,3H-benzo[de]isothiochromen-1-ylidene)methylene)bis(N,N-dimethylaniline) | 875761-76-5

• 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: 4,4'-((3-(bis(4-methoxyphenyl)methylene)-1H,3H-benzo[de]isothiochromen-1-ylidene)methylene)bis(N,N-dimethylaniline)
• CAS: 875761-76-5
• 化学式: C₄₄H₄₀N₂O₂S
• 分子量: 660.88
• InChiKey: CGLNXXZDRABMMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.57
• 重原子数：
  49.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  24.94
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4,4'-((3-(bis(4-methoxyphenyl)methylene)-1H,3H-benzo[de]isothiochromen-1-ylidene)methylene)bis(N,N-dimethylaniline) 在 碘 作用下， 以80%的产率得到3-[Bis(4-methoxyphenyl)methylidene]-13-[4-(dimethylamino)phenyl]spiro[2-thiatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaene-12,4'-cyclohexa-2,5-diene]-1'-one
  参考文献：
  名称：

  The first stable tetraarylacenaphthenequinodimethanes exhibiting electrochromism with ‘write-protect’ option: preparation, highly deformed structure, and reversible interconversion with acenaphthylene-5,6-diyl dicationic dyes

  摘要：

  Severely deformed title quinodimethanes [1,2-bis(diarylmethylene)acenaphthenes] 1 have been designed and prepared as novel electrochromic materials, which can be reversibly interconverted with the deeply colored dicationic dyes 1(2+) with acenaphthylene-1,2-diyl skeleton. The X-ray analysis of 1 revealed that the inner two aryl groups are forced to overlap in proximity, which can account for the facile electrocyclization process to the isomer. By combination of reversible electrochemical transformation with irreversible isomerization process, the present system provides a prototype for novel molecular response systems equipped with the 'write-protect' option. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.11.059
• 作为产物：
  描述：

  米氏酮 在 正丁基锂 、 叔丁基锂 作用下， 生成 4,4'-((3-(bis(4-methoxyphenyl)methylene)-1H,3H-benzo[de]isothiochromen-1-ylidene)methylene)bis(N,N-dimethylaniline)
  参考文献：
  名称：

  The first stable tetraarylacenaphthenequinodimethanes exhibiting electrochromism with ‘write-protect’ option: preparation, highly deformed structure, and reversible interconversion with acenaphthylene-5,6-diyl dicationic dyes

  摘要：

  Severely deformed title quinodimethanes [1,2-bis(diarylmethylene)acenaphthenes] 1 have been designed and prepared as novel electrochromic materials, which can be reversibly interconverted with the deeply colored dicationic dyes 1(2+) with acenaphthylene-1,2-diyl skeleton. The X-ray analysis of 1 revealed that the inner two aryl groups are forced to overlap in proximity, which can account for the facile electrocyclization process to the isomer. By combination of reversible electrochemical transformation with irreversible isomerization process, the present system provides a prototype for novel molecular response systems equipped with the 'write-protect' option. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.11.059