(12Z)-12-[1-(1,2-dimethylindol-3-yl)ethylidene]-13-propan-2-ylidene-1,4,7,10-tetraoxacyclotetradecane-11,14-dione | 314266-78-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (12Z)-12-[1-(1,2-dimethylindol-3-yl)ethylidene]-13-propan-2-ylidene-1,4,7,10-tetraoxacyclotetradecane-11,14-dione
• CAS: 314266-78-9
• 化学式: C₂₅H₃₁NO₆
• 分子量: 441.524
• InChiKey: HHXSQWAXMAPINZ-QJOMJCCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (12Z)-12-[1-(1,2-dimethylindol-3-yl)ethylidene]-13-propan-2-ylidene-1,4,7,10-tetraoxacyclotetradecane-11,14-dione 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Photochromism of Fulgenates Possessing Crown-Ether Moiety

  摘要：

  Three indolylfulgenates possessing diesters of 14-crown-4 (2). 17-crown-5 (3), and 20-crown-6 (4) groups were synthesized and their photochromic behaviors in the presence or absence of alkali metal cations (Li+, Na+, K+) were investigated. Notable features are: (1) The association constant of Na+ was the largest for 3, and that for K+ was the largest for 4, (2) The association of E- and Z-forms are stronger than C-form. (3) In the cases of Na+-3 and K+-4, no photocoloration occurred. (4) As for the photochromism of 2, no effects of alkali metal species were observed. These phenomena were elucidated by molecular mechanics calculations.

  DOI：

  10.1080/10587250008023847
• 作为产物：
  描述：

  以 乙腈 为溶剂， 生成 (12Z)-12-[1-(1,2-dimethylindol-3-yl)ethylidene]-13-propan-2-ylidene-1,4,7,10-tetraoxacyclotetradecane-11,14-dione
  参考文献：
  名称：

  Photochromism of Fulgenates Possessing Crown-Ether Moiety

  摘要：

  Three indolylfulgenates possessing diesters of 14-crown-4 (2). 17-crown-5 (3), and 20-crown-6 (4) groups were synthesized and their photochromic behaviors in the presence or absence of alkali metal cations (Li+, Na+, K+) were investigated. Notable features are: (1) The association constant of Na+ was the largest for 3, and that for K+ was the largest for 4, (2) The association of E- and Z-forms are stronger than C-form. (3) In the cases of Na+-3 and K+-4, no photocoloration occurred. (4) As for the photochromism of 2, no effects of alkali metal species were observed. These phenomena were elucidated by molecular mechanics calculations.

  DOI：

  10.1080/10587250008023847

文献信息

• Photochromism of Fulgenates Possessing Crown-Ether Moiety
  作者：Yasushi Yokoyama、Takabumi Ohmori、Tomoyuki Okuyama、Yayoi Yokoyama、Soichi Uchida

  DOI：10.1080/10587250008023847

  日期：2000.6.1

  Three indolylfulgenates possessing diesters of 14-crown-4 (2). 17-crown-5 (3), and 20-crown-6 (4) groups were synthesized and their photochromic behaviors in the presence or absence of alkali metal cations (Li+, Na+, K+) were investigated. Notable features are: (1) The association constant of Na+ was the largest for 3, and that for K+ was the largest for 4, (2) The association of E- and Z-forms are stronger than C-form. (3) In the cases of Na+-3 and K+-4, no photocoloration occurred. (4) As for the photochromism of 2, no effects of alkali metal species were observed. These phenomena were elucidated by molecular mechanics calculations.