ethyl 1,3,3-trimethylspiro[indoline-2,3'-[3H]naphtho[2,1-b][1,4]oxazine]-9'-yloxyacetate | 655242-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: ethyl 1,3,3-trimethylspiro[indoline-2,3'-[3H]naphtho[2,1-b][1,4]oxazine]-9'-yloxyacetate
• 英文别名: ethyl 2-(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-yl)oxyacetate
• CAS: 655242-54-9
• 化学式: C₂₆H₂₆N₂O₄
• 分子量: 430.503
• InChiKey: ZREIICMKARZFRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.0
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  60.36
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl 1,3,3-trimethylspiro[indoline-2,3'-[3H]naphtho[2,1-b][1,4]oxazine]-9'-yloxyacetate 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 以63%的产率得到1,3,3-trimethylspiro[indoline-2,3'-[3H]naphtho[2,1-b][1,4]oxazine]-9'-yloxyacetic acid
  参考文献：
  名称：

  摘要：

  A procedure was developed for phase-transfer catalyzed alkylation of 5-hydroxyindolenineand 9'-hydroxy-substituted spiro[indoline-2,3'-naphtho[2,1-b]oxazines] by alkyl halides. New 9'-hydroxy- and 9'-alkoxy-substituted spironaphthooxazines, spirooxazinyloxyacetic acids, and their esters containing substituents with different length of the carbon chain in the indoline moiety were synthesized. The influence of the substituents on the spectroscopic properties of the starting and colored forms and the kinetic characteristics of photochromic transformations of 9'-substituted spironaphthooxazines in solutions and polymeric films was investigated. The bipolar merocyanine forms of spirooxazines were found to produce H-aggregates.

  DOI：

  10.1023/a:1024773727436
• 作为产物：
  描述：

  1-nitroso-naphthalene-2,7-diol 在 18-冠醚-6 、 potassium carbonate 、 三乙胺 作用下， 以 异丙醇 、 甲苯 为溶剂， 反应 7.0h， 生成 ethyl 1,3,3-trimethylspiro[indoline-2,3'-[3H]naphtho[2,1-b][1,4]oxazine]-9'-yloxyacetate
  参考文献：
  名称：

  摘要：

  A procedure was developed for phase-transfer catalyzed alkylation of 5-hydroxyindolenineand 9'-hydroxy-substituted spiro[indoline-2,3'-naphtho[2,1-b]oxazines] by alkyl halides. New 9'-hydroxy- and 9'-alkoxy-substituted spironaphthooxazines, spirooxazinyloxyacetic acids, and their esters containing substituents with different length of the carbon chain in the indoline moiety were synthesized. The influence of the substituents on the spectroscopic properties of the starting and colored forms and the kinetic characteristics of photochromic transformations of 9'-substituted spironaphthooxazines in solutions and polymeric films was investigated. The bipolar merocyanine forms of spirooxazines were found to produce H-aggregates.

  DOI：

  10.1023/a:1024773727436