5-ethyl-1-methyl-pyrimidine-2,4,6-trione | 55974-64-6

• 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-ethyl-1-methyl-pyrimidine-2,4,6-trione
• 英文别名: 5-ethyl-1-methyl-barbituric acid；5-Aethyl-1-methyl-barbitursaeure；2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-；5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
• CAS: 55974-64-6
• 化学式: C₇H₁₀N₂O₃
• 分子量: 170.168
• InChiKey: OQAUDOFERGTKHL-UHFFFAOYSA-N

物化性质

• 熔点：
  105 °C
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 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：

  5-ethyl-1-methyl-pyrimidine-2,4,6-trione 在 溴 作用下， 以 乙醇 为溶剂， 以90%的产率得到5-Brom-1-methyl-5-ethyl-barbitursaeure
  参考文献：
  名称：

  巴比妥酸衍生物，30. Mitt. Synthesis 外消旋体。和光学活性碱性取代巴比妥酸

  摘要：

  5-单烷基化巴比妥酸 1 由单烷基化丙二酸酯与 N-单取代脲缩合得到 5-溴巴比妥酸 2。碱性取代的巴比妥酸 3-5 是由 2 通过与氮碱的亲核取代制备的。在合成的 27 种外消旋物中，有 17 种可以用樟脑磺酸分解为对映异构体。

  DOI：

  10.1002/ardp.19823150810
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 5-ethyl-1-methyl-pyrimidine-2,4,6-trione
  参考文献：
  名称：

  Boetius et al., Journal fur praktische Chemie (Leipzig 1954), 1959, vol. <4>7, p. 135,139

  摘要：

  DOI：

文献信息

• [EN] PHOTOLABILE BARBITURATE COMPOUNDS<br/>[FR] COMPOSÉS BARBITURIQUES PHOTOLABILES
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2019152187A1

  公开（公告）日：2019-08-08

  The present disclosure provides a redox initiator system for initiating polymerization comprising an oxidizing agent, a photolabile reducing agent derived from a barbiturate, and a transition metal complex that participates in a redox cycle. On exposure to actinic radiation, such as UV, the photolabile compound photolyzes, releasing the reducing agent and initiating the redox-initiated polymerization.

  本发明公开了一种用于引发聚合反应的氧化还原引发剂系统，包括氧化剂、源自巴比妥酸盐的光敏还原剂以及参与氧化还原循环的过渡金属配合物。在暴露于光化辐射（如紫外线）的情况下，光敏化合物发生光解，释放出还原剂并引发氧化还原引发的聚合反应。
• Reaction-Curable Adhesive Composition and Dental Adhesive Kit
  申请人：Yamamoto Takashi

  公开号：US20100292359A1

  公开（公告）日：2010-11-18

  A reaction-curable adhesive composition exhibiting acidity is formed form a weakly acidic to alkaline composition (I) comprising (a) a polymerizable monomer and (b) a compound represented by the following formula (1) and a strongly acidic composition (II) comprising (a) a polymerizable monomer. R 1 —C 6 H 4 —NR 2 CH 2 COOR 3 (1) wherein R 1 and R 2 are each independently a hydrogen atom or an alkyl group which may have a functional group, and R 3 is a hydrogen atom or a metal atom. The composition containing the polymerizable monomer can be stably stored for a long period of time.

  一种表现出酸性的反应固化粘合剂组合物是由一个弱酸性至碱性的组合物(I)和一个强酸性的组合物(II)形成的。组合物(I)包括(a)可聚合单体和(b)由以下式子(1)表示的化合物，而组合物(II)包括(a)可聚合单体。R1—C6H4—NR2CH2COOR3(1)，其中R1和R2各自独立地是氢原子或可能具有功能基团的烷基基团，而R3是氢原子或金属原子。含有可聚合单体的组合物可以稳定地储存长时间。
• Dental adhesive kit
  申请人：SUN MEDICAL CO., LTD.

  公开号：EP0923924A2

  公开（公告）日：1999-06-23

  A kit for dental adhesive comprising a radical polymerizable monomer having an acid group in the molecule, a photosensitizer and/or a peroxide, a water-soluble organic solvent, an organic sulfinic acid and/or a salt thereof or a barbituric acid and/or a derivative thereof, and water. The kit may further comprises a radical polymerizable monomer which has no acid group and is insoluble or hardly soluble in water, an amine compound, a silane coupling agent and a 1,3,5-triazine-2,4-dithion derivative. By using this kit, the adhesive composition can be applied directly to a dentine without conducting a pretreatment.

  一种牙科粘合剂试剂盒，包括分子中含有酸基的可自由基聚合单体、光敏剂和/或过氧化物、水溶性有机溶剂、有机亚硫酸和/或其盐或巴比妥酸和/或其衍生物以及水。该试剂盒还可进一步包含不含酸基且不溶于或难溶于水的自由基可聚合单体、胺化合物、硅烷偶联剂和 1,3,5-三嗪-2,4-二硫杂环衍生物。使用这种试剂盒，粘合剂组合物可以直接涂抹在牙本质上，而无需进行预处理。
• REACTION-SETTING ADHESIVE COMPOSITION, AND ADHESIVE MATERIAL KIT FOR DENTAL APPLICATIONS
  申请人：SUN MEDICAL CO., LTD.

  公开号：EP2156817A1

  公开（公告）日：2010-02-24

  The reaction-curable adhesive composition exhibiting acidity of the present invention is formed form a weakly acidic to alkaline composition (I) comprising (a) a polymerizable monomer and (b) a compound represented by the following formula (1) and a strongly acidic composition (II) comprising (a) a polymerizable monomer.         R1-C6H4-NR2CH2COOR3     (1) wherein R1 and R2 are each independently a hydrogen atom or an alkyl group which may have a functional group, and R3 is a hydrogen atom or a metal atom. According to the present invention, a composition containing a polymerizable monomer can be stably stored for a long period of time.

  本发明具有酸性的反应固化粘合剂组合物是由弱酸性至碱性组合物 (I) 和强酸性组合物 (II) 组成，前者包含 (a) 可聚合单体和 (b) 下式 (1) 所代表的化合物，后者包含 (a) 可聚合单体。 R1-C6H4-NR2CH2COOR3 (1) 其中 R1 和 R2 各自独立地为氢原子或可带有官能团的烷基，R3 为氢原子或金属原子。 根据本发明，含有可聚合单体的组合物可以长期稳定地储存。
• Method, means and kit for infiltrating enamel lesions
  申请人：Charité Universitätsmedizin Berlin

  公开号：EP2476404A1

  公开（公告）日：2012-07-18

  The present invention refers to a method of infiltrating enamel for the prevention and/or treatment of carious lesions comprising (a) exposing an enamel area to a conditioner comprising hydrochloric acid; (b) exposing the conditioned enamel area to an infiltrant; and (c) curing the infiltrant. The present invention further refers to a kit for carrying out the method of infiltrating enamel, which comprises a conditioner comprising hydrochloric acid and an infiltrant comprising at least one low viscous dental resin. Alternatively, the kit comprises ready-to-use means for carrying out the method of infiltrating enamel, e.g. application strips with delivery pads soaked with conditioner or infiltrant.; The present invention also refers to a method for identifying an infiltrant by calculation of the penetration coefficient, and to an infiltrant identified by the method having a penetration coefficient of >50 cm/s or comprising a low viscous light curing resin having a penetration coefficient of >50 cm/s.

  本发明涉及一种用于预防和/或治疗龋损的釉质浸润方法，该方法包括：(a) 将釉质区域暴露于由盐酸组成的调节剂中；(b) 将调节后的釉质区域暴露于浸润剂中；(c) 将浸润剂固化。本发明还涉及一种用于实施釉质浸润方法的试剂盒，该试剂盒包括由盐酸组成的调节剂和由至少一种低粘度牙科树脂组成的浸润剂。本发明还涉及一种通过计算渗透系数来确定渗透剂的方法，以及一种通过该方法确定的渗透剂，其渗透系数大于 50 cm/s，或包含一种低粘度光固化树脂，其渗透系数大于 50 cm/s。