(E,E)-4,6-bis[3-(2,6-tert-butylpyran-4-ylidene)propenyl]pyrimidine | 1586023-34-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (E,E)-4,6-bis[3-(2,6-tert-butylpyran-4-ylidene)propenyl]pyrimidine
• 英文别名: 4,6-bis[(E)-3-(2,6-ditert-butylpyran-4-ylidene)prop-1-enyl]pyrimidine
• CAS: 1586023-34-8
• 化学式: C₃₆H₄₈N₂O₂
• 分子量: 540.789
• InChiKey: RGCFTQGAHMNIPT-HBKJEHTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,6-二甲基嘧啶 、 2,6-diphenyl-4-(3-formylprop-2-enylidene)-4H-pyran 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以73%的产率得到(E,E)-4,6-bis[3-(2,6-tert-butylpyran-4-ylidene)propenyl]pyrimidine
  参考文献：
  名称：

  Dipolar and V-shaped structures incorporating methylenepyran and diazine fragments

  摘要：

  Thirteen novel dipolar and V-shaped chromophores with pyranylidene electron-donating part, diazine electron-withdrawing part and various pi-linkers were synthesized. The extent of intramolecular charge transfer, structure-property relationships and optical properties were further investigated by UV/Vis absorption, electrochemistry, and DFT calculations. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.071

文献信息

• Dipolar and V-shaped structures incorporating methylenepyran and diazine fragments
  作者：Sylvain Achelle、Samia Kahlal、Jean-Yves Saillard、Nolwenn Cabon、Bertrand Caro、Françoise Robin-le Guen

  DOI：10.1016/j.tet.2014.02.071

  日期：2014.4

  Thirteen novel dipolar and V-shaped chromophores with pyranylidene electron-donating part, diazine electron-withdrawing part and various pi-linkers were synthesized. The extent of intramolecular charge transfer, structure-property relationships and optical properties were further investigated by UV/Vis absorption, electrochemistry, and DFT calculations. (C) 2014 Elsevier Ltd. All rights reserved.