3-(dicyanomethylene)-1,2,2-trimethyl-2,3-dihydroindole | 1111088-61-9

• 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: 3-(dicyanomethylene)-1,2,2-trimethyl-2,3-dihydroindole
• 英文别名: 2-(1,2,2-Trimethylindol-3-ylidene)propanedinitrile；2-(1,2,2-trimethylindol-3-ylidene)propanedinitrile
• CAS: 1111088-61-9
• 化学式: C₁₄H₁₃N₃
• 分子量: 223.277
• InChiKey: XNHOMSSZESQPQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  50.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,2-Trimethylindoxyl 、 丙二腈 在 吡啶 作用下， 反应 24.0h， 以29%的产率得到3-(dicyanomethylene)-1,2,2-trimethyl-2,3-dihydroindole
  参考文献：
  名称：

  Synthesis and physical properties of various organic dyes derived from a single core skeleton, 1,2-dihydroindol-3-one

  摘要：

  Various organic dyes were synthesized from 1,2-dihydroindol-3-one analogue via Robinson ring annulation, which proceeded efficiently using DBU as a base to give the pi-expanded compounds. These compounds exhibited longer Stokes shifts (over 100 nm) than the 1,2-dihydroindol-3-ones (50-80 nm). Emission peaks of the obtained materials covered the 440-640 nm range. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.098

文献信息

• Synthesis and physical properties of various organic dyes derived from a single core skeleton, 1,2-dihydroindol-3-one
  作者：Shoji Matsumoto、Daisuke Samata、Motohiro Akazome、Katsuyuki Ogura

  DOI：10.1016/j.tetlet.2008.10.098

  日期：2009.1

  Various organic dyes were synthesized from 1,2-dihydroindol-3-one analogue via Robinson ring annulation, which proceeded efficiently using DBU as a base to give the pi-expanded compounds. These compounds exhibited longer Stokes shifts (over 100 nm) than the 1,2-dihydroindol-3-ones (50-80 nm). Emission peaks of the obtained materials covered the 440-640 nm range. (C) 2008 Elsevier Ltd. All rights reserved.