5-(4-dibutylaminobenzylidene)pyrimidine-2,4,6-trione | 1050-00-6

• 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: 5-(4-dibutylaminobenzylidene)pyrimidine-2,4,6-trione
• 英文别名: 5-(4-(dibutylamino)benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione；5-[[4-(Dibutylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
• CAS: 1050-00-6
• 化学式: C₁₉H₂₅N₃O₃
• 分子量: 343.426
• InChiKey: GWRFRJIUKAWRDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  巴比妥酸 、 4-(二丁基氨基)苯甲醛 以 乙酸酐 为溶剂， 反应 2.0h， 以100%的产率得到5-(4-dibutylaminobenzylidene)pyrimidine-2,4,6-trione
  参考文献：
  名称：

  分子与真空场强耦合的热力学

  摘要：

  分析了分子与真空场之间强耦合的热力学，首次确定了耦合过程的吉布斯自由能，焓和熵。热力学参数是拉比裂解和微观溶剂化的函数。结果为理解轻分子强耦合提供了一个新的框架。

  DOI：

  10.1002/anie.201301861

文献信息

• Merocyanine Dyes Containing Imide Functional Groups:  Synthesis and Studies on Hydrogen Bonding to Melamine Receptors
  作者：Frank Würthner、Sheng Yao

  DOI：10.1021/jo0351670

  日期：2003.11.1

  changes in the charge density at the oxygen functionalities involved in hydrogen bonding upon variation of the electron-donating carbocyclic or heterocyclic groups at the terminal double bond. Although the binding constants for triple hydrogen bonding between imides and melamines are rather weak in chloroform, they proved to be strong enough to facilitate dissolution of some of these dyes in aliphatic solvents

  CH酸性杂环4-烷基-2,6-二氧-1,2,5,6-四氢吡啶-3-腈（5a和b）和巴比妥酸（15）与富电子的噻吩醛和苯甲醛衍生物的缩合反应分别得到一甲亚胺染料10-13和17-19。5a，b和15与N，N′-二苯基甲idine或二丁基甲酰胺在乙酸酐中甲酰化，并与4-吡啶鎓盐9a，b进一步反应，得到二甲胺染料14和20a，b。已通过三聚氰胺21的NMR滴定实验研究了花青染料10-14的酰亚胺基团的三氢键。 。这些结果可以通过半经验计算来合理化，该计算揭示了在末端双键的给电子性碳环或杂环基团发生变化时，参与氢键结合的氧官能团上电荷密度的微小变化。尽管在氯仿中酰亚胺和三聚氰胺之间三氢键的结合常数相当弱，但事实证明它们足够强，可以通过与两亲三聚氰胺和偶极聚集的配位来促进其中某些染料在脂族溶剂中的溶解。在甲基环己烷与氯仿中观察到的紫外可见光谱变化表明，通过非共价聚合形成了胶体组装体。
• COLORED CURABLE COMPOSITION, COLOR FILTER, AND SOLID IMAGE PICKUP ELEMENT
  申请人：SHIMADA Kazuto

  公开号：US20090085018A1

  公开（公告）日：2009-04-02

  The invention provides a colored curable composition including: (A) a pigment dispersion containing (a-1) a pigment, (a-2) a compound having a pigment skeletal structure and an amino group in its molecule, and (a-3) a dispersion resin; (B) an oxime-based initiator; and (C) a polymerizable compound. The invention provides a colored curable composition that is useful for forming a colored region of a color filter, which even with a high content of a pigment, is capable of curing with high sensitivity, is excellent in developability and is capable of highly finely forming a thin-layer colored region excellent in hue. Further, the invention provides a color filter provided with a high fine thin-layer colored region excellent in color properties formed by the colored curable composition of the invention, and a solid image pickup device provided with the color filter, which is excellent in color properties.
• COLORED CURABLE COMPOSITION, COLOR FILTER AND SOLID-STATE IMAGING DEVICE
  申请人：Shimada Kazuto

  公开号：US20110017962A1

  公开（公告）日：2011-01-27

  A colored curable composition including: (A) a pigment dispersion containing (a-1) a pigment, (a-2) a compound having a pigment mother nucleus structure and an amino group in a molecule, and (a-3) a resin having an acid group and a polymerizable group; (B) an oxime ester initiator; and (C) a polymerizable compound.
• US8303860B2
  申请人：——

  公开号：US8303860B2

  公开（公告）日：2012-11-06
• US8822109B2
  申请人：——

  公开号：US8822109B2

  公开（公告）日：2014-09-02