2-[3,3-Dimethyl-2-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]indol-1-yl]ethyl 2-methylprop-2-enoate | 98352-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-[3,3-Dimethyl-2-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]indol-1-yl]ethyl 2-methylprop-2-enoate
• 英文别名: 2-[3,3-dimethyl-2-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]indol-1-yl]ethyl 2-methylprop-2-enoate
• CAS: 98352-39-7
• 化学式: C₂₄H₂₄N₂O₅
• 分子量: 420.465
• InChiKey: FCYGWVAHPUCKRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[3,3-Dimethyl-2-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]indol-1-yl]ethyl 2-methylprop-2-enoate 以 丙酮 为溶剂， 反应 0.25h， 生成 2-(3',3'-二甲基-6-硝基螺[色烯-2,2'-吲哚]-1'-基)乙基甲基丙烯酸酯
  参考文献：
  名称：

  Synthesis and photochromic properties of methacryloxy 6-nitrospirobenzopyrans

  摘要：

  The synthesis. and spectroscopic characterization of several methacryloxy-modified spiropyran dyes is reported. The dyes were found to have similar photochromic isomerization rates relative to a commercially available reference compound in solution. The methacryloxy-modified dyes were also successfully incorporated into polymer matrices, where they retained their ability to photoisomerize and complex with cobalt (II) and zinc (II) ions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.03.010
• 作为产物：
  描述：

  2-(3',3'-二甲基-6-硝基螺[色烯-2,2'-吲哚]-1'-基)乙基甲基丙烯酸酯 以 丙酮 为溶剂， 反应 0.02h， 生成 2-[3,3-Dimethyl-2-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]indol-1-yl]ethyl 2-methylprop-2-enoate
  参考文献：
  名称：

  Synthesis and photochromic properties of methacryloxy 6-nitrospirobenzopyrans

  摘要：

  The synthesis. and spectroscopic characterization of several methacryloxy-modified spiropyran dyes is reported. The dyes were found to have similar photochromic isomerization rates relative to a commercially available reference compound in solution. The methacryloxy-modified dyes were also successfully incorporated into polymer matrices, where they retained their ability to photoisomerize and complex with cobalt (II) and zinc (II) ions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.03.010

文献信息

• Dynamics of the spiropyran-merocyanine conversion in solution
  作者：Y. Kalisky、T. E. Orlowski、D. J. Williams

  DOI：10.1021/j150644a006

  日期：1983.12
• Synthesis and photochromic properties of methacryloxy 6-nitrospirobenzopyrans
  作者：Kelly A. Sennett、Brian K. Lindner、Navdeep Kaur、Shannon M. Fetner、Shannon E. Stitzel

  DOI：10.1016/j.dyepig.2013.03.010

  日期：2013.9

  The synthesis. and spectroscopic characterization of several methacryloxy-modified spiropyran dyes is reported. The dyes were found to have similar photochromic isomerization rates relative to a commercially available reference compound in solution. The methacryloxy-modified dyes were also successfully incorporated into polymer matrices, where they retained their ability to photoisomerize and complex with cobalt (II) and zinc (II) ions. (C) 2013 Elsevier Ltd. All rights reserved.