1',3',3'-trimethyl-6-nitro-8-<10-(1,4,7-trioxa-10-azacyclododecyl)methyl>spiro<2H-1-benzopyran-2,2'-indoline> | 134259-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1',3',3'-trimethyl-6-nitro-8-<10-(1,4,7-trioxa-10-azacyclododecyl)methyl>spiro<2H-1-benzopyran-2,2'-indoline>
• 英文别名: 1',3',3'-Trimethyl-6-nitro-8-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)spiro[chromene-2,2'-indole]；1',3',3'-trimethyl-6-nitro-8-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)spiro[chromene-2,2'-indole]
• CAS: 134259-40-8
• 化学式: C₂₈H₃₅N₃O₆
• 分子量: 509.602
• InChiKey: RMMTUJDUGZAYCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1',3',3'-trimethyl-6-nitro-8-<10-(1,4,7-trioxa-10-azacyclododecyl)methyl>spiro<2H-1-benzopyran-2,2'-indoline> 在 lithium 作用下， 生成
  参考文献：
  名称：

  Cation-specific isomerization of crowned spirobenzopyrans

  摘要：

  新型螺并吡喃衍生物的 8 位含有单氮冠分子，在黑暗条件下会与碱金属离子发生选择性络合，从而异构化为相应的美拉德菁形式；异构化作用在 Li+ 的作用下尤其明显，因为 Li+ 与冠环结合时可能会与酚阴离子发生分子内相互作用。

  DOI：

  10.1039/c39910000147
• 作为产物：
  描述：

  3-氯甲基-5-硝基水杨醛 以 四氢呋喃 、 乙醇 为溶剂， 反应 16.0h， 生成 1',3',3'-trimethyl-6-nitro-8-<10-(1,4,7-trioxa-10-azacyclododecyl)methyl>spiro<2H-1-benzopyran-2,2'-indoline>
  参考文献：
  名称：

  Cation-specific isomerization of crowned spirobenzopyrans

  摘要：

  新型螺并吡喃衍生物的 8 位含有单氮冠分子，在黑暗条件下会与碱金属离子发生选择性络合，从而异构化为相应的美拉德菁形式；异构化作用在 Li+ 的作用下尤其明显，因为 Li+ 与冠环结合时可能会与酚阴离子发生分子内相互作用。

  DOI：

  10.1039/c39910000147

文献信息

• Synthesis and Photochromism of Crowned Spirobenzothiapyran:  Facilitated Photoisomerization by Cooperative Complexation of Crown Ether and Thiophenolate Moieties with Metal Ions
  作者：Mutsuo Tanaka、Kenji Kamada、Hisanori Ando、Takashi Kitagaki、Yasuhiko Shibutani、Keiichi Kimura

  DOI：10.1021/jo000175r

  日期：2000.7.1

  oligooxyethylene moieties were synthesized, and their photochromism was examined in the presence of cations in acetonitrile. The cation complexation by their crown ether moieties cannot induce thermal isomerization to their corresponding colored merocyanine form, unlike the corresponding spirobenzopyran derivatives. The UV-light-induced isomerization was, however, facilitated by the cation complexation

  合成了带有单氮杂-12-冠-4，-15-冠-5，-18-冠-6和低聚氧乙烯部分的螺并苯并噻喃，并在乙腈中存在阳离子的情况下检查了它们的光致变色。与相应的螺并苯并吡喃衍生物不同，通过它们的冠醚部分进行的阳离子络合不能诱导热异构化为其相应的有色花菁形式。然而，冠醚部分的阳离子络合以及花青硫酚盐阴离子对金属离子的亲和力，尤其是在Li（+）和Ag（+）的存在下，促进了紫外线诱导的异构化。
• Cation Complexation, Photochromism, and Photoresponsive Ion-Conducting Behavior of Crowned Spirobenzopyran Vinyl Polymers
  作者：Keiichi Kimura、Hidefumi Sakamoto、Ryoko M. Uda

  DOI：10.1021/ma035644g

  日期：2004.3.1

  Vinyl polymers incorporating a crowned spirobenzopyran moiety at the side chain were synthesized, and their alkali metal-ion complexation, photochromism, and photoresponsive ion-conducting behaviors were studied in comparison with similar polymers incorporating crown ether and spirobenzopyran moieties independently. The metal-ion complexation by their crown ether moiety significantly affected the photochromism of their spirobenzopyran moiety. The crowned spirobenzopyran polymers are similar to their corresponding monomeric analogue in their metal-ion complexing property and photochromism, with some difference induced by polymer effect. Almost no significant aggregation of the photoinduced merocyanine moiety was found in the crowned spirobenzopyran polymer, unlike the polymers carrying spirobenzopyran and crown ether moiety independently. The crowned spirobenzopyran polymers were applied successfully as components of photoresponsive ion-conducting materials.
• Cation-specific isomerization of crowned spirobenzopyrans
  作者：Keiichi Kimura、Takashi Yamashita、Masaaki Yokoyama

  DOI：10.1039/c39910000147

  日期：——

  Novel spirobenzopyran derivatives carrying monoazacrown moieties at the 8-position undergo selective complexation of alkali metal ions and thereby isomerization to their corresponding merocyanine form in the dark; the isomerization is enhanced especially by Li+ that is likely to interact with the phenolate anion intramolecularly when bound to the crown rings.

  新型螺并吡喃衍生物的 8 位含有单氮冠分子，在黑暗条件下会与碱金属离子发生选择性络合，从而异构化为相应的美拉德菁形式；异构化作用在 Li+ 的作用下尤其明显，因为 Li+ 与冠环结合时可能会与酚阴离子发生分子内相互作用。
• Kimura, Keiichi; Yamashita, Takashi; Yokoyama, Masaaki, Journal of the Chemical Society. Perkin transactions II, 1992, # 4, p. 613 - 620
  作者：Kimura, Keiichi、Yamashita, Takashi、Yokoyama, Masaaki

  DOI：——

  日期：——