5-(2,6-bis((E)-4-diethylaminostyryl)-4H-pyran-4-ylidene)-1,3-diethyl-2-thioxodihydropyrimidin-4,6-dione | 1165800-70-3

• 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: 5-(2,6-bis((E)-4-diethylaminostyryl)-4H-pyran-4-ylidene)-1,3-diethyl-2-thioxodihydropyrimidin-4,6-dione
• 英文别名: 5-[2,6-bis[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 1165800-70-3
• 化学式: C₃₇H₄₄N₄O₃S
• 分子量: 624.847
• InChiKey: OHGALBIELAPXGV-GJHDBBOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  88.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N-二乙基-4-氨基苯甲醛 、 2-(2,6-dimethyl-4H-pyran-4-ylidene)thiobarbituric acid 在 哌啶 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 以90%的产率得到5-(2,6-bis((E)-4-diethylaminostyryl)-4H-pyran-4-ylidene)-1,3-diethyl-2-thioxodihydropyrimidin-4,6-dione
  参考文献：
  名称：

  New one- and two-dimensional 4H-pyranylidene NLO-phores

  摘要：

  Dipolar, V-shaped compounds derived from 4H-pyranylidene-linked acceptors have been synthesized, and their linear and nonlinear optical properties (displaying mu beta values up to 3000 x 10(-48) esu) have been compared to those of analogous one-dimensional derivatives. The pyranylidene ring behaves strictly as a spacer, and not as a donor group. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.197

文献信息

• New one- and two-dimensional 4H-pyranylidene NLO-phores
  作者：Raquel Andreu、Laura Carrasquer、Javier Garín、María Jesús Modrego、Jesús Orduna、Raquel Alicante、Belén Villacampa、Magali Allain

  DOI：10.1016/j.tetlet.2009.03.197

  日期：2009.6

  Dipolar, V-shaped compounds derived from 4H-pyranylidene-linked acceptors have been synthesized, and their linear and nonlinear optical properties (displaying mu beta values up to 3000 x 10(-48) esu) have been compared to those of analogous one-dimensional derivatives. The pyranylidene ring behaves strictly as a spacer, and not as a donor group. (C) 2009 Elsevier Ltd. All rights reserved.