1,5,5-三甲基-1,3-二嗪农-2,4,6-三酮 | 702-47-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1,5,5-三甲基-1,3-二嗪农-2,4,6-三酮
• 英文名称: 1-methyl-5,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
• 英文别名: 1,5,5-trimethylbarbituric acid；1,5,5-trimethyl-pyrimidine-2,4,6-trione；1,5,5-trimethyl-barbituric acid；1,5,5-Trimethyl-barbitursaeure；1,5,5-Trimethylpyrimidine-2,4,6(1h,3h,5h)-trione；1,5,5-trimethyl-1,3-diazinane-2,4,6-trione
• CAS: 702-47-6
• 化学式: C₇H₁₀N₂O₃
• 分子量: 170.168
• InChiKey: ILIMOFAFBPEQAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,5,5-三甲基-1,3-二嗪农-2,4,6-三酮 生成 1,5,5-trimethyl-3-(2-piperidino-ethyl)-barbituric acid
  参考文献：
  名称：

  Goldhahn, Pharmazie, 1957, vol. 12, p. 549,550

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲基丙二酸二乙酯 、 N-甲基脲 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 1,5,5-三甲基-1,3-二嗪农-2,4,6-三酮
  参考文献：
  名称：

  Thermophysical Study of Several Barbituric Acid Derivatives by Differential Scanning Calorimetry (DSC)

  摘要：

  The present study reports a differential scanning calorimetry (DSC) study of the barbituric acid derivatives: 1,3-dimethylbarbituric acid [CAS 769-42-6], 5,5-dimethylbarbituric acid [CAS 24448-94-0], 1,3-diethyl-barbituric acid [CAS 32479-73-5], 1,3,5-trimethylbarbituric acid [CAS 7358-61-4], 1,5,5-trimethylbarbituric acid [CAS 702-47-6], and tetramethylbarbituric acid [CAS 13566-66-0] in the temperature interval from T = 268 K to their respective melting temperatures. Temperatures, enthalpies and entropies of fusion, and the heat capacities of the solid compounds as a function of temperature are reported.

  DOI：

  10.1021/je1008944

文献信息

• [EN] NEW TRIAZINE AS PHOTO INITIATORS AND THEIR PREPARATION<br/>[FR] NOUVEAUX PHOTO-INITIATEURS EN TRIAZINE ET LEUR PRÉPARATION
  申请人：COVESTRO DEUTSCHLAND AG

  公开号：WO2016207161A1

  公开（公告）日：2016-12-29

  The present invention relates to new triazine photoinitiators, a new process for their preparation, and a photopolymer composition comprising a photopolymerizable component and the new triazine photoinitiators. Further aspects of the present invention are a photopolymer comprising said photopolymer composition, a holographic medium which comprises such a photopolymer, a hologram comprising the holographic medium, and a device such a display, chip card, security document, bank note and / or holographic optical element comprising said hologram.

  本发明涉及新的三嗪光引发剂，其制备的新工艺，以及包括光聚合组分和新的三嗪光引发剂的光聚合物组合物。本发明的进一步方面包括包括所述光聚合物组合物的光聚合物，包括这样一种光聚合物的全息介质，包括全息介质的全息图，以及包括所述全息图的显示器、芯片卡、安全文件、纸币和/或全息光学元件的装置。
• DENTAL MATERIALS BASED ON LOW-ODOUR THIOLS
  申请人：IVOCLAR VIVADENT AG

  公开号：US20170007505A1

  公开（公告）日：2017-01-12

  Dental material, which contains an ene compound with two or more C—C multiple bonds and a thiol according to general Formula (1) or an oligomer based on such a thiol, wherein n, p and m are chosen such that the thiol has a total of at least 3 SH groups.

  牙科材料，其中包含根据一般公式（1）含有两个或多个C—C多重键和硫醇的烯基化合物，或者基于这种硫醇的寡聚物，其中n、p和m被选择为硫醇至少具有总共3个SH基团。
• Radical Anions from Urea-type Carbonyls: Radical Cyclizations and Cyclization Cascades
  作者：Huan-Ming Huang、Joseph J. W. McDouall、David J. Procter

  DOI：10.1002/anie.201800667

  日期：2018.4.23

  carbonyls by reductive electron transfer are exploited in carbon–carbon bond formation. New radical cyclizations of urea radical anions deliver complex nitrogen heterocycles and, depending upon the proton source used in the reactions, a chemoselective switch between reaction pathways can deliver two heterobicyclic scaffolds. A computational study has been used to investigate the selectivity of the urea

  通过还原电子转移从脲羰基生成的自由基阴离子被用于碳-碳键的形成。尿素自由基阴离子的新的自由基环化传递复杂的氮杂环，并且根据反应中使用的质子来源，反应路径之间的化学选择性转换可以传递两个杂环双环骨架。已经使用计算研究来研究尿素自由基过程的选择性。此外，涉及脲自由基阴离子的自由基环化级联反应提供了不同寻常的螺环氨基结构。
• Stabilised compositions having and antibacterial activity
  申请人：——

  公开号：US20030186955A1

  公开（公告）日：2003-10-02

  A stabilised composition having antibacterial, antiviral and/or antifungal activity, said composition comprising silver ions and a ligand, characterised in that the composition comprises a complex of silver and a ligand selected from the group consisting of 5,5-disubstituted hydantoins in which the substituents do not comprise conjugated unsaturated bonds and barbituric acid and derivatives thereof stabilising silver ions against reduction to free silver in a hydrophilic environment, and that the composition has a solubility in water higher than 10 mg Ag/l is stable during sterilisation and retains the activity without giving rise to darkening or discoloration of the dressing during storage.

  具有抗菌、抗病毒和/或抗真菌活性的稳定化合物，该化合物包含银离子和配体，其特征在于该化合物包含银和配体的复合物，所述配体选自5,5-二取代咪唑烷酮（其取代基不包括共轭不饱和键）和巴比妥酸及其衍生物，稳定银离子以防止在亲水环境中还原为自由银，并且该化合物在水中的溶解度高于10毫克Ag/l，在灭菌过程中稳定，并且在贮存期间不会导致敷料变黑或变色。
• N-alkylindolylidene and N-alkylbenzothiazolylidene alkanones as sensitizers for photopolymer compositions
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0103294A1

  公开（公告）日：1984-03-21

  Photopolymerizable compositions comprising (a) at least one ethylenically unsaturated compound, (b) at least one photoinitiator or photoinitiator system, (c) sensitizing amount of an N-alkylindolylidene or N-alkylbenzothiazolylidene alkanone as defined, and optionally (d) at least one organic polymeric binder. The compositions, in layer form are useful in printing plates, litho films, photoresists, solder mask and for making image proofs. The products show sensitization to visible light.

  可进行光聚合的组合物，包括(a)至少一种乙烯基不饱和化合物，(b)至少一种光引发剂或光引发剂体系，(c)如定义的 N-烷基吲哚亚基或 N-烷基苯并噻唑亚基烷酮的敏化量，以及(d)可选的至少一种有机聚合物粘合剂。层状组合物可用于印版、平版印刷膜、光刻胶、阻焊层和制作图像样张。产品对可见光有敏化作用。