6-[2-(3,3-Dimethyl-1-octadecylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one | 157662-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-[2-(3,3-Dimethyl-1-octadecylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one
• 英文别名: 6-[2-(3,3-dimethyl-1-octadecylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one
• CAS: 157662-67-4；97126-39-1
• 化学式: C₃₆H₅₂N₂O₃
• 分子量: 560.82
• InChiKey: MWPRMKYQABDNRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  41
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-[2-(3,3-Dimethyl-1-octadecylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one 以 various solvent(s) 为溶剂， 生成 1'-Octadecyl-3',3'-dimethyl-6-nitrospiro<2H-1-benzopyran-2,2'-indoline>
  参考文献：
  名称：

  螺吡喃的光致变色在有组织的分子组装中。双层-粘土基质中光金属花青的J和H聚集体的形成

  摘要：

  一系列具有不同烷基长度的1'-烷基-3'，3'-二甲基-6-硝基-8-烷酰氧基甲基螺（2 H -1-苯并吡喃-2,2'-二氢吲哚）衍生物的光致变色已经在十二烷基二甲基氯化铵-粘土基质中研究了链。当辐照含有适当长度的烷基链的SP时，会形成稳定的H-（平行型）和J（头对尾型）光合花青素聚集体。

  DOI：

  10.1039/c39910000532
• 作为产物：
  描述：

  1-碘十八烷 在 sodium hydroxide 、 水 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 62.0h， 生成 6-[2-(3,3-Dimethyl-1-octadecylindol-2-ylidene)ethylidene]-4-nitrocyclohexa-2,4-dien-1-one
  参考文献：
  名称：

  10.1080/15421400390264928

  摘要：

  DOI：

  10.1080/15421400390264928

文献信息

• Photochromism of spiropyrans in organized molecular assemblies. Formation of J- and H-aggregates of photomerocyanines in bilayers–clay matrices
  作者：Hideo Tomioka、Toshio Itoh

  DOI：10.1039/c39910000532

  日期：——

  Photochromism of a series of 1′-alkyl-3′,3′-dimethyl-6-nitro-8-alkanoyloxymethylspiro(2H-1-benzopyran-2,2′-indoline) derivatives (SPs) having different lengths of their alkyl chains has been investigated in didodecyldimethylammonium chloride–clay matrices; stable H (parallel type) and J (head-to-tail type) aggregates of photo-merocyanines are formed when SPs containing an appropriate length of alkyl

  一系列具有不同烷基长度的1'-烷基-3'，3'-二甲基-6-硝基-8-烷酰氧基甲基螺（2 H -1-苯并吡喃-2,2'-二氢吲哚）衍生物的光致变色已经在十二烷基二甲基氯化铵-粘土基质中研究了链。当辐照含有适当长度的烷基链的SP时，会形成稳定的H-（平行型）和J（头对尾型）光合花青素聚集体。
• Effect of the phase transition of a bilayer membrane on the thermal decolouration of a u.v.-irradiated indolinospirobenzopyran
  作者：Takahiro Seki、Kunihiro Ichimura

  DOI：10.1039/c39870001187

  日期：——

  The kinetic parameters for the thermal decolouration of u.v.-irradiated spiropyran derivatives incorporated in a bilayer vesicle membrane were affected by the crystal to liquid crystal phase transition.

  掺入双层囊泡膜中的紫外线辐照的螺吡喃衍生物的热脱色动力学参数受晶体到液晶的相变影响。
• Formation of head-to-tail and side-by-side aggregates of photochromic spiropyrans in bilayer membrane
  作者：Takahiro. Seki、Kunihiro. Ichimura

  DOI：10.1021/j100372a077

  日期：1990.5
• Nondestructive information reading method
  作者：K. G. Dzhaparidze、L. V. Devadze、D. P. Maisuradze、N. O. Sepashvili

  DOI：10.1134/s0018143909070029

  日期：2009.12

  Degradation of a photochromic material upon multiply repeated recording and partial erasure during readout of information limit the potential use of spiropyrans as switchers and memory recording/storage media in molecular computers. The recording process is the transition from the first to the second thermodynamically stable state.[GRAPHICS].
• J-Aggregate Formation of Spiropyran Derivatives in LB and Vapor-Deposited Thin Films
  作者：Kouji Matsumoto、Takashi Shinohara、Yasuko Koshiba、Yasukiyo Ueda、Zhenguo Ji

  DOI：10.1080/15421400500366753

  日期：2006.3

  J-aggregate formation in the films of spiropyran derivatives ( SP1822 and SP18) prepared with Langumuir-Blodegett ( LB) and vapor-deposition methods was investigated. In the films of SP1822, J-aggregate formation occurred with UV light illumination and thermal treatment. In the case of SP18 film, on the other hand, only photoisomerization occurred. When the PMC-form of SP18 was transferred onto a glass plate, J-like aggregate formation occurred after UV light illumination. By UV light illumination during evaporation process, SP1822 formed J-aggregate. Finally, SP1822 J-aggregate film oriented one-dimensionally was fabricated by using a PTFE layer as a substrate.