2-(2,2,6-trimethyl-3H-pyran-4-ylidene)propanedinitrile | 609805-84-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(2,2,6-trimethyl-3H-pyran-4-ylidene)propanedinitrile
• CAS: 609805-84-7
• 化学式: C₁₁H₁₂N₂O
• 分子量: 188.229
• InChiKey: GHOROMZJIACMOO-UHFFFAOYSA-N

物化性质

• 沸点：
  275.5±40.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  56.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,2,6-trimethyl-3H-pyran-4-ylidene)propanedinitrile 、 (2,6-di-tert-butyl-4H-pyran-4-ylidene)acetaldehyde 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以75%的产率得到(E)-2-(6-(3-(2,6-di-tert-butyl-4H-pyran-4-ylidene)prop-1-enyl)-2,2-dimethyl-2,3-dihydropyran-4-ylidene)malononitrile
  参考文献：
  名称：

  Isophorone- and pyran-containing NLO-chromophores: a comparative study

  摘要：

  A series of merocyanines containing isophorone or pyran rings in the spacer have been synthesized. For a given pair of donor and acceptor groups, the isophorone derivatives show higher second-order optical nonlinearities, but lower thermal stabilities. The first NLO-chromophores endowed with a dihydropyran fragment in the spacer have also been prepared and studied. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.033

文献信息

• Red organic electroluminescent devices
  申请人：EASTMAN KODAK COMPANY

  公开号：EP1351322A1

  公开（公告）日：2003-10-08

  An organic EL device, having an anode and a cathode, and at least one organic luminescent medium including a compound of the formula: wherein: R1, and R2 are individually alkyl of from 1 to 20 carbon atoms, aryl, substituted aryl, carbocyclic and other heterocyclic systems; and R1, and R2 can be connected to form 5 or 6 member ring systems; and R3, and R4 are individually hydrogen; alkyl of from 1 to 10 carbon atoms, and a branched or unbranched 5 or 6 member substituent ring connecting with R1, R2 respectively; and R5 and R6 are individually hydrogen; alkyl of from 1 to 20 carbon atoms; aryl and heteroaryl of from 5 to 24 carbon atoms; and R6 can be connected with R5 to form a branched or unbranched 5 or 6 member carbocyclic ring.

  一种有机电致发光器件，具有阳极和阴极，以及至少一种包括式化合物的有机发光介质： 其中 R1和R2分别为1至20个碳原子的烷基、芳基、取代芳基、碳环和其它杂环系统；R1和R2可连接形成5或6个成员的环系统；R3和R4分别为氢；R5 和 R6 分别为氢、1-20 个碳原子的烷基、5-24 个碳原子的芳基和杂芳基；R6 可与 R5 连接形成支链或未支链的 5 或 6 个碳环。
• US6680132B2
  申请人：——

  公开号：US6680132B2

  公开（公告）日：2004-01-20
• Isophorone- and pyran-containing NLO-chromophores: a comparative study
  作者：Raquel Andreu、Santiago Franco、Elena Galán、Javier Garín、Natalia Martínez de Baroja、Cristina Momblona、Jesús Orduna、Raquel Alicante、Belén Villacampa

  DOI：10.1016/j.tetlet.2010.05.033

  日期：2010.7

  A series of merocyanines containing isophorone or pyran rings in the spacer have been synthesized. For a given pair of donor and acceptor groups, the isophorone derivatives show higher second-order optical nonlinearities, but lower thermal stabilities. The first NLO-chromophores endowed with a dihydropyran fragment in the spacer have also been prepared and studied. (C) 2010 Elsevier Ltd. All rights reserved.