2-(ethyl(4-(1-isobutyl-3,3-dimethylspiro[indoline-2,2'-naphtho[1,2-b][1,4]oxazine]-6'-yl)phenyl)amino)ethanol | 1252677-26-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-(ethyl(4-(1-isobutyl-3,3-dimethylspiro[indoline-2,2'-naphtho[1,2-b][1,4]oxazine]-6'-yl)phenyl)amino)ethanol
• 英文别名: 2-[4-[3',3'-dimethyl-1'-(2-methylpropyl)spiro[benzo[h][1,4]benzoxazine-2,2'-indole]-6-yl]-N-ethylanilino]ethanol
• CAS: 1252677-26-1
• 化学式: C₃₅H₃₉N₃O₂
• 分子量: 533.714
• InChiKey: IRMIFOUVAKQVSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  48.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-isobutyl-3,3-dimethyl-2-methyleneindoline 、 4-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-2-(hydroxyimino)naphthalen-1(2H)-one 以 乙醇 为溶剂， 反应 3.0h， 以84%的产率得到2-(ethyl(4-(1-isobutyl-3,3-dimethylspiro[indoline-2,2'-naphtho[1,2-b][1,4]oxazine]-6'-yl)phenyl)amino)ethanol
  参考文献：
  名称：

  Synthesis of Green Colored Photochromic 6′-Arylamino Spiro [2H]Naphth[1,2-b]oxazines

  摘要：

  The published route to a series of 6'-arylamino substituted photochromic spirooxazines has been investigated with improvements made to perform the synthesis in satisfactory yield. The route has been exemplified with several novel derivatives prepared (including hydroxyl functionalised). Additionally, a one-pot procedure for the conversion of suitably functionalized 1,2-naphthoquinones into the photochromic compounds is reported.

  DOI：

  10.1080/00397910903457423

文献信息

• Synthesis of Green Colored Photochromic 6′-Arylamino Spiro [2H]Naphth[1,2-b]oxazines
  作者：Mark York、Richard A. Evans

  DOI：10.1080/00397910903457423

  日期：2010.11.16

  The published route to a series of 6'-arylamino substituted photochromic spirooxazines has been investigated with improvements made to perform the synthesis in satisfactory yield. The route has been exemplified with several novel derivatives prepared (including hydroxyl functionalised). Additionally, a one-pot procedure for the conversion of suitably functionalized 1,2-naphthoquinones into the photochromic compounds is reported.