3,5-bis((1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]-5-yl)ethynyl)phenylmethanol | 1364234-52-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,5-bis((1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]-5-yl)ethynyl)phenylmethanol
• 英文别名: [3,5-Bis[2-(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-5'-yl)ethynyl]phenyl]methanol
• CAS: 1364234-52-5
• 化学式: C₅₅H₄₄N₄O₃
• 分子量: 808.979
• InChiKey: LLSOCXQRHKWBMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  62
• 可旋转键数：
  5
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,5-bis(trimethylsilylethynyl)benzyl alcohol 在 1-甲基吡咯烷 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 3,5-bis((1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]-5-yl)ethynyl)phenylmethanol
  参考文献：
  名称：

  Synthesis, characterization, and solvent-independent photochromism of spironaphthooxazine dimers

  摘要：

  Specifically angled, conjugated spiroindolinonaphthooxazine dimers (SNOD) have been synthesized. The photochromic reactions of two types of SNOD were studied under continuous UV irradiation in solvents of different polarity. Comparison of these results with the single unit provides the examination of the specific effect of substituents on their photochromic properties and relaxation kinetics. The photomerocyanine isomers showed positive solvatochromism, supporting the premise for a less polar quinoidal structure. The thermal closing rate at 25 degrees C ranged from 0.2 to 1.6 s(-1) depending on the compound and solvent. Photochromism of these new compounds showed little dependency on solvent polarity and stable cyclability. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.11.011