5-(3,3-bis(4-(dimethylamino)phenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione | 124454-14-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(3,3-bis(4-(dimethylamino)phenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
• 英文别名: 5-(3,3-Bis(4-(dimethylamino)phenyl)-2-propenylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione；5-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
• CAS: 124454-14-4
• 化学式: C₂₃H₂₄N₄O₃
• 分子量: 404.469
• InChiKey: JSSJBYIAMULIBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,1-Bis-(4-dimethylaminophenyl)-propinol-(1) 、 巴比妥酸 以 乙醇 为溶剂， 反应 1.0h， 以79%的产率得到5-(3,3-bis(4-(dimethylamino)phenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
  参考文献：
  名称：

  1,1 二芳基-2-丙炔-1-醇衍生的新型部花青染料的合成和吸收光谱特性

  摘要：

  一系列含有 3,6-双（二甲氨基）芴、噻吨或 10-(9-xanthenylidene)-9(10H)-anthrylidene 生色团的推拉丁二烯染料（新型部花青染料）很容易从相应的 1、 1-二芳基-2-丙炔-1-醇系统。研究了它们的吸收光谱特性，并与 PPP-SCF-CI-MO 计算的结果进行了比较，讨论了它们的光吸收特性和化学结构之间的关系。研究了溶剂极性对染料 1⁄λmax(=波数)-值的影响，并将溶剂致变色性质与已知的溶剂极性参数如 ET30、Z、χR、πazo* 对 2-[2 -[3,6-双(二甲氨基)芴基]亚乙基]-1,3-茚二酮。

  DOI：

  10.1246/bcsj.64.1641

文献信息

• NAKATSUJI, SHINICHI;YAHIRO, TOMIO;NAKASHIMA, KENICHIRO;AKIYAMA, SHUZO;NAK+, CHEM. EXPRESS., 4,(1989) N, C. 601-604
  作者：NAKATSUJI, SHINICHI、YAHIRO, TOMIO、NAKASHIMA, KENICHIRO、AKIYAMA, SHUZO、NAK+

  DOI：——

  日期：——
• New Push–Pull Dyes Derived from Michler’s Ketone For Polymerization Reactions Upon Visible Lights.
  作者：Mohamad-Ali Tehfe、Frédéric Dumur、Bernadette Graff、Fabrice Morlet-Savary、Jean-Pierre Fouassier、Didier Gigmes、Jacques Lalevée

  DOI：10.1021/ma400766z

  日期：2013.5.28

  Among other photoinitiating systems, aromatic ketone based compounds have been largely exploited as photoinitiators (PIs). However, none of these compounds efficiently absorb above 420 nm. The search of novel architectures of Pis for getting an important red shift of the absorption is crucial for the use of visible lights for polymer synthesis. Novel bifunctional dyes derived from the Michler's ketone structure are proposed here as photoinitiators for the free radical polymerization of acrylates and the cationic polymerization of epoxides upon exposure to 457, 473, and 532 nm laser diodes and even to a green LED bulb at 514 nm. Excellent polymerization profiles are obtained. These original dyes exhibit a push-pull molecular character for a remarkable covering of the visible lights. The formation of the radicals and the ions in the two- and three-component photoinitiating systems is described and the initiation steps are discussed.
• US7728222B2
  申请人：——

  公开号：US7728222B2

  公开（公告）日：2010-06-01
• Synthesis and Absorption Spectral Properties of New Merocyanine Dyes Derived from 1,1 Diaryl-2-propyn-1-ols
  作者：Shin’ichi Nakatsuji、Tomio Yahiro、Kenichiro Nakashima、Shuzo Akiyama、Hiroyuki Nakazumi

  DOI：10.1246/bcsj.64.1641

  日期：1991.5

  series of push-pull butadiene dyes (new merocyanine dyes) containing 3,6-bis(dimethylamino)fluorenylidene, thioxanthenylidene, or 10-(9-xanthenylidene)-9(10H)-anthrylidene chromophore was easily synthesized from the corresponding 1,1-diaryl-2-propyn-1-ol systems. Their absorption spectral properties were examined and the relationship between their light absorption properties and chemical structures is

  一系列含有 3,6-双（二甲氨基）芴、噻吨或 10-(9-xanthenylidene)-9(10H)-anthrylidene 生色团的推拉丁二烯染料（新型部花青染料）很容易从相应的 1、 1-二芳基-2-丙炔-1-醇系统。研究了它们的吸收光谱特性，并与 PPP-SCF-CI-MO 计算的结果进行了比较，讨论了它们的光吸收特性和化学结构之间的关系。研究了溶剂极性对染料 1⁄λmax(=波数)-值的影响，并将溶剂致变色性质与已知的溶剂极性参数如 ET30、Z、χR、πazo* 对 2-[2 -[3,6-双(二甲氨基)芴基]亚乙基]-1,3-茚二酮。