(E)-5-[6-(2,6-diphenyl-4H-pyran-4-ylidenemethyl)dithieno[3,2-b:2',3'-d]thiophen-2-yl-alylidene]-1,3-diethyl-2-thioxodihydropyrimidin-4,6-dione | 1429623-00-6

• 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)-5-[6-(2,6-diphenyl-4H-pyran-4-ylidenemethyl)dithieno[3,2-b:2',3'-d]thiophen-2-yl-alylidene]-1,3-diethyl-2-thioxodihydropyrimidin-4,6-dione
• 英文别名: 5-[[10-[(2,6-Diphenylpyran-4-ylidene)methyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione；5-[[10-[(2,6-diphenylpyran-4-ylidene)methyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 1429623-00-6
• 化学式: C₃₅H₂₆N₂O₃S₄
• 分子量: 650.867
• InChiKey: LGEVHEPIVZZZEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  167
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,6-diphenyl-(4H-pyran-4ylidene)-diphenylphosphine oxide 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 24.75h， 生成 (E)-5-[6-(2,6-diphenyl-4H-pyran-4-ylidenemethyl)dithieno[3,2-b:2',3'-d]thiophen-2-yl-alylidene]-1,3-diethyl-2-thioxodihydropyrimidin-4,6-dione
  参考文献：
  名称：

  Efficient second-order nonlinear optical chromophores based on dithienothiophene and thienothiophene bridges

  摘要：

  Two series of push-pull systems bearing dithienothiophene or thienothiophene as (part of) pi-conjugated spacer have been synthesized. These compounds combine high second-order molecular non-linearities with good thermal stabilities, showing one of the thienothiophene (TT) derivative the highest mu beta(0) value found for a 4H-pyranylidene-containing merocyanine. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.027

文献信息

• Efficient second-order nonlinear optical chromophores based on dithienothiophene and thienothiophene bridges
  作者：A. Belén Marco、Raquel Andreu、Santiago Franco、Javier Garín、Jesús Orduna、Belén Villacampa、Raquel Alicante

  DOI：10.1016/j.tet.2013.03.027

  日期：2013.5

  Two series of push-pull systems bearing dithienothiophene or thienothiophene as (part of) pi-conjugated spacer have been synthesized. These compounds combine high second-order molecular non-linearities with good thermal stabilities, showing one of the thienothiophene (TT) derivative the highest mu beta(0) value found for a 4H-pyranylidene-containing merocyanine. (C) 2013 Elsevier Ltd. All rights reserved.