(E,E)-5'-(4-cyano-3-methylbuta-1,3-dienyl)-6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline] | 1359664-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (E,E)-5'-(4-cyano-3-methylbuta-1,3-dienyl)-6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]
• 英文别名: (2E,4E)-3-methyl-5-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)penta-2,4-dienenitrile
• CAS: 1359664-59-7
• 化学式: C₂₅H₂₃N₃O₃
• 分子量: 413.476
• InChiKey: IIUGKBVHQUVKQL-UEMOYGGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]-5'-carbaldehyde 、 (3-cyano-2-methyl-2-propenyl)diethylphosphonate 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 生成 (1''E,3''Z)-5'-(4-cyano-3-methylbuta-1,3-dienyl)-6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline] 、 (E,E)-5'-(4-cyano-3-methylbuta-1,3-dienyl)-6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline]
  参考文献：
  名称：

  Polyenic spirobenzopyrans: Synthesis and study of photochromic properties

  摘要：

  Four new retinal analogs on basis of nitro-substituted indoline spiropyran were prepared and the spectral kinetic study of their photochromic properties was carried out. Specific influence of nature and length of polyenic substituents on spectral characteristics of spiropyran forms, efficiency of photochromic transformations and photodegradation was established. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.03.014

文献信息

• Polyenic spirobenzopyrans: Synthesis and study of photochromic properties
  作者：Alexey Laptev、Alexey Lukin、Nikolay Belikov、Maxim Fomin、Konstantin Zvezdin、Olga Demina、Valery Barachevsky、Sergey Varfolomeev、Vitaly Shvets、Andrey Khodonov

  DOI：10.1016/j.jphotochem.2011.03.014

  日期：2011.7

  Four new retinal analogs on basis of nitro-substituted indoline spiropyran were prepared and the spectral kinetic study of their photochromic properties was carried out. Specific influence of nature and length of polyenic substituents on spectral characteristics of spiropyran forms, efficiency of photochromic transformations and photodegradation was established. (C) 2011 Elsevier B.V. All rights reserved.