1,3-dipropyl-1H,3H,5H-pyrimidine-2,4,6-trione | 64319-68-2

• 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: 1,3-dipropyl-1H,3H,5H-pyrimidine-2,4,6-trione
• 英文别名: 1,3-dipropylpyrimidine-2,4,6(1H,3H,5H)-trione；1,3-dipropylpyrimidine-2,4,6-trione；1,3-di-n-propylbarbituric acid；1,3-dipropyl-1,3-diazinane-2,4,6-trione
• CAS: 64319-68-2
• 化学式: C₁₀H₁₆N₂O₃
• 分子量: 212.249
• InChiKey: RSEQDQIMVQFBSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C(Solv: ligroine (8032-32-4))
• 沸点：
  296.2±23.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dipropyl-1H,3H,5H-pyrimidine-2,4,6-trione 在 sodium hydride 作用下， 反应 1.0h， 生成 1,3-dipropyl-6-(pyridin-2-yl)amino-1H,3H,5H-pyrimidine-2,4-dione
  参考文献：
  名称：

  新的[ f ]融合的黄嘌呤：1,3-二丙基-1 H，3 H-吡嗪，吡啶基，嘧啶基和吡咯并[2,1 - f ]嘌呤-2,4-二酮的合成

  摘要：

  从5,6-二氨基-1,3-二丙基嘧啶-开始，合成1,3-二丙基-1 H，3 H-吡嗪并，吡啶基，嘧啶基和吡咯并[2,1 - f ]嘌呤-2,4-二酮。描述了2，4-二酮1和6-氯-1，3-二丙基嘧啶-2，4-二酮14。1,3-二丙基-1 H，3 H-吡啶（或吡嗪并）[1'，2'-1,2]嘧啶[4,5 - d ]嘧啶-2,4,5-三酮的合成新方法还开发了19 e，f，h。

  DOI：

  10.1002/jhet.5570310115
• 作为产物：
  描述：

  1,3-二丙基脲 在 丙二酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 生成 1,3-dipropyl-1H,3H,5H-pyrimidine-2,4,6-trione
  参考文献：
  名称：

  7-(2,3-Dihydroxypropyl-1,3-di-n-propylxanthine and a pharmaceutical

  摘要：

  7-(2,3-二羟丙基)-1,3-二正丙基黄嘌呤与茶碱在扩张支气管方面具有相似的作用，但在不良副作用方面较茶碱不活跃。

  公开号：

  US04031218A1

文献信息

• Three-Component Suzuki–Knoevenagel Synthesis of Merocyanine Libraries and Correlation Analyses of Their Oxidation Potentials and Optical Band Gaps
  作者：Tim Meyer、Roxanne Krug、Thomas J. J. Müller

  DOI：10.3390/molecules26175149

  日期：——

  The Suzuki coupling Knoevenagel condensation one-pot synthesis of boronic acids/esters, (hetero)aromatic bromo aldehydes and methylene active compounds is a highly practical consecutive three-component process to provide substance libraries with 60 donor-π-bridge-acceptor molecules, i.e., merocyanines in a broader sense, in moderate to excellent yield. As already seen with the naked eye, a broad variation

  Suzuki 偶联 Knoevenagel 缩合一锅法合成硼酸/酯、（杂）芳族溴醛和亚甲基活性化合物是一种非常实用的连续三组分工艺，可提供具有 60 个供体-π-桥-受体分子的物质库，即，更广泛意义上的部花青，产量中等至极好。正如肉眼所见，使用这种实用的合成工具可以实现光学特性的广泛变化。更系统地，在绘制光学带隙与近亲系列氧化还原活性系统的第一氧化电位时的相关性分析提供了线性相关性，并且通过扩展，两个参数图（氧化电位和发射最大值）与光学带隙平面相关性。
• Recyclization in the Series of Spiro[indole-3,5′-pyrimido[4,5-b]quinoline]-2,2′,4′-triones Prepared by a Three-Component Reaction of Isatins with (Thio)barbituric Acids and Electron-Rich Anilines
  作者：Viktor Iaroshenko、Sergii Dudkin、Vyacheslav Sosnovskikh、Alexander Villinger、Peter Langer

  DOI：10.1055/s-0032-1318273

  日期：——

  5-b]quinoline]-2,2′,4′-trione derivatives prepared by a three-component reaction of (thio)barbituric acids, electron-rich aromatic amines, and isatins was observed. A ring–ring transformation in the series of spiro[indole-3,5′-pyrimido[4,5-b]quinoline]-2,2′,4′-trione derivatives prepared by a three-component reaction of (thio)barbituric acids, electron-rich aromatic amines, and isatins was observed.

  摘要 通过（硫代）三组分反应制备的螺[吲哚-3,5'-嘧啶[4,5-b]喹啉] -2,2'，4'-三酮衍生物系列的环-环转化观察到巴比妥酸，富电子芳族胺和靛红。 通过（硫代）三组分反应制备的螺[吲哚-3,5'-嘧啶[4,5-b]喹啉] -2,2'，4'-三酮衍生物系列的环-环转化观察到巴比妥酸，富电子芳族胺和靛红。
• NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION
  申请人：Barlow Carrolee

  公开号：US20070049576A1

  公开（公告）日：2007-03-01

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  该即时披露描述了通过刺激或增加神经发生来治疗中枢神经系统和外周神经系统的疾病和病症的方法。该披露包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经生成剂结合以刺激或激活新神经细胞的形成。
• Second harmonic generation with N,N'-substituted barbituric acids
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0266882A2

  公开（公告）日：1988-05-11

  This invention is concerned with materials for nonlinear optical devices for the conversion of optical energy at one frequency to optical energy at another frequency. Laser techniques have been developed so that it is possible to obtain a limited number of fundamental frequencies of coherent laser light by utilizing solid, gas, and liquid media. However, in many applications, laser light having frequencies not among the fundamental frequencies obtainable is required, and in some cases laser light exhibiting a continuous spectrum over a certain range of frequencies is required. Inorganic materials have been used extensively for nonlinear optical applications. However, they are only of limited use because of their bandwidth limitations. The possibility of using organic materials in nonlinear optical devices has generated much interest recently because a large number of organic materials are available for investigation and because they do not have the bandwidth limitations of inorganic materials. This invention provides devices comprising a laser source of coherent light radiation at a fixed fundamental frequency, a crystalline N,Nʹ-substituted barbituric acid that crystallizes in a non-centrosymmetric configuration, means for directing the output radiation of the laser onto the N,Nʹ-substituted barbituric acid, and output means for utilizing the second harmonic frequency.

  本发明涉及将一种频率的光能转换为另一种频率的光能的非线性光学设备材料。 激光技术的发展使人们有可能通过利用固体、气体和液体介质获得数量有限的基频相干激光光。然而，在许多应用中，需要的激光频率并不在可获得的基频之列，在某些情况下，还需要在一定频率范围内显示连续光谱的激光。 无机材料已被广泛应用于非线性光学领域。然而，由于带宽的限制，它们的用途有限。 最近，人们对在非线性光学设备中使用有机材料的可能性产生了浓厚的兴趣，因为有大量有机材料可供研究，而且它们没有无机材料的带宽限制。 本发明提供的装置包括一个固定基频相干光辐射激光源、一个以非中心对称构型结晶的 N,Nʹ-取代巴比妥酸晶体、将激光输出辐射引导到 N,Nʹ-取代巴比妥酸上的装置以及利用二次谐波频率的输出装置。
• AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME
  申请人：CHEMIPRO KASEI KAISHA, LIMITED

  公开号：EP0950655A1

  公开（公告）日：1999-10-20

  The present invention provides an aminomethylene derivative represented by general formula (I): wherein A is a cyclic oxo group selected from the group consisting of following general formulae (a), (b), (c), (d) and (e): wherein R1, R2, R3, R4 and R5 each independently represent H, an alkyl group or the like; R6, R7 and R8 each independently represent an alkyl group or the like; R1 and R2 or R7 and R8 may combine with each other to form a tetramethylene group or the like; R represents an alkyl group optionally containing OH or O; and n is an integer of 0 to 4, a process for the same, and the use thereof. The derivatives have an excellent ultraviolet absorption ability and a high optical stability.

  本发明提供一种由通式(I)表示的亚氨基亚甲基衍生物： 其中 A 是选自以下通式（a）、（b）、（c）、（d）和（e）所组成的组的环状氧代基团： 其中 R1、R2、R3、R4 和 R5 各自独立地代表 H、烷基或类似基团；R6、R7 和 R8 各自独立地代表烷基或类似基团；R1 和 R2 或 R7 和 R8 可相互结合形成四亚甲基或类似基团；R 代表任选含有 OH 或 O 的烷基；n 为 0 至 4 的整数。这些衍生物具有出色的紫外线吸收能力和较高的光学稳定性。