5,5-dibenzyl-1,3-dimethyl-2,3,4(1H,3H,5H)pyrimidinetrione | 21991-30-0

• 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: 5,5-dibenzyl-1,3-dimethyl-2,3,4(1H,3H,5H)pyrimidinetrione
• 英文别名: 5,5-dibenzyl-1,3-dimethyl-pyrimidine-2,4,6-trione；5,5-dibenzyl-1,3-dimethyl-barbituric acid；5,5-Dibenzyl-1,3-dimethyl-barbitursaeure；5,5-Dibenzyl-1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione；5,5-dibenzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 21991-30-0
• 化学式: C₂₀H₂₀N₂O₃
• 分子量: 336.39
• InChiKey: AKCCYMXEJXFRRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  5,5-dibenzyl-1,3-dimethyl-2,3,4(1H,3H,5H)pyrimidinetrione 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以85%的产率得到2,2-Dibenzyl-N,N'-dimethyl-malonamide
  参考文献：
  名称：

  Decarbonylation of tetrasubstituted barbituric acids as a versatile method for preparation of N,N′,2,2-tetrasubstituted malonamides

  摘要：

  A procedure for the preparation of 1,3,5,5-tetrasubstituted-2,3,4(1H,3H, SH)pyrimidinetriones (barbituric acids) through alkylation of the less substituted 2,3,4(1H,3H,5H)pyfimidinetriones (barbituric acids) and decarbonylation of the tetrasubstituted product into the N,Nl,2,2-tetrasubstituted-manlonamides are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00852-2
• 作为产物：
  描述：

  1,3,1',3'-tetramethylhydurilic acid 在 sodium hydroxide 、 palladium on activated charcoal 、 五氯化磷 、 丙酮 、 1,1,2,2-四氯乙烷 作用下， 生成 5,5-dibenzyl-1,3-dimethyl-2,3,4(1H,3H,5H)pyrimidinetrione
  参考文献：
  名称：

  1,3-Dimethyl-5-alkyl Barbituric Acids

  摘要：

  DOI：

  10.1021/ja01847a008

文献信息

• 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。
• US4714838A
  申请人：——

  公开号：US4714838A

  公开（公告）日：1987-12-22
• Decarbonylation of tetrasubstituted barbituric acids as a versatile method for preparation of N,N′,2,2-tetrasubstituted malonamides
  作者：Branko S Jursic

  DOI：10.1016/s0040-4039(00)00852-2

  日期：2000.7

  A procedure for the preparation of 1,3,5,5-tetrasubstituted-2,3,4(1H,3H, SH)pyrimidinetriones (barbituric acids) through alkylation of the less substituted 2,3,4(1H,3H,5H)pyfimidinetriones (barbituric acids) and decarbonylation of the tetrasubstituted product into the N,Nl,2,2-tetrasubstituted-manlonamides are described. (C) 2000 Elsevier Science Ltd. All rights reserved.
• 1,3-Dimethyl-5-alkyl Barbituric Acids
  作者：Arthur C. Cope、Dorothea Heyl、Dorothea Peck、Catherine Eide、Arsenia Arroyo

  DOI：10.1021/ja01847a008

  日期：1941.2