1-butyl-3,3-dimethyl-5'-hydroxyspiro-(indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine) | 733756-77-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-butyl-3,3-dimethyl-5'-hydroxyspiro-(indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine)
• CAS: 733756-77-9
• 化学式: C₂₅H₂₆N₂O₂
• 分子量: 386.494
• InChiKey: IGRBKYPHKANVOA-RUZDIDTESA-N

物化性质

• 沸点：
  598.5±50.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.93
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  45.06
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  乙醇 、 铁粉 、 1-butyl-3,3-dimethyl-5'-hydroxyspiro-(indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine) 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Thermally activated and light-induced metal ion complexation of 5′-(hydroxy)spiroindolinonaphthooxazines in polar solvents

  摘要：

  Chelation with Al(III), Fe(II) or Cu(II) of the open photomerocyanine form obtained under steady irradiation of spiroindolinonaphthooxazines, with a hydroxyl group at the 5' position in the naphthooxazine moiety, induces a slight hypsochromic shift of its visible absorption band and increases the lifetime of this form, slowing down its thermal bleaching in the dark (rate constant similar to10(-3) s(-1)). Complexation with Al(III), Fe(II) or Cu(II) allows the spiroindolinonaphthooxazines to isomerize to their open coloured form even under dark conditions giving a complex spectroscopically identical to the photoinduced product. The activation energy of thermal complexation is independent of the metal ion which implies the ring opening as the rate determining step. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.09.022