1-ethaneyl-5-methylbarbituric acid | 27653-59-4

• 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-ethaneyl-5-methylbarbituric acid
• 英文别名: 1-ethyl-5-methylpyrimidinetrione；1-ethyl-5-methylbarbituric acid；1-Ethyl-5-methyl-1,3-diazinane-2,4,6-trione
• CAS: 27653-59-4
• 化学式: C₇H₁₀N₂O₃
• 分子量: 170.168
• InChiKey: QPXXXBVJBVHTTJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 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：

  1-ethaneyl-5-methylbarbituric acid 在 溴 作用下， 以 乙醇 为溶剂， 以91%的产率得到5-bromo-1-ethyl-5-methylbarbituric acid
  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：

  甲基丙二酸二乙酯 、 Cytochrome鎐frompigeonbreastmuscle 生成 1-ethaneyl-5-methylbarbituric acid
  参考文献：
  名称：

  KNABE, J.;REINHARDT, J., ARCH. PHARM., 1982, 315, N 8, 706-716

  摘要：

  DOI：

文献信息

• SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME
  申请人：KABUSHIKI KAISHA SHOFU

  公开号：US20190300552A1

  公开（公告）日：2019-10-03

  The present invention relate to a novel silane coupling agent and a medical and/or dental curable composition comprising the same. It is an object of the present invention to provide a novel silane coupling agent that imparts high affinity to a radical polymerizable monomer, thereby imparting high mechanical strength, flexibility and durability when used for a medical and/or dental curable composition, and an inorganic filler surface-treated with the novel silane coupling agent and a novel medical and/or dental curable composition. A silane coupling agent including repeating units such as a urethane bond and polyethylene glycol (ether bond) at a specific position is used.

  本发明涉及一种新型硅烷偶联剂以及包括该偶联剂的医用和/或牙科可固化组合物。本发明的目的是提供一种新型硅烷偶联剂，使其对自由基聚合单体具有高亲和力，从而在用于医用和/或牙科可固化组合物时赋予高机械强度、柔韧性和耐久性，并且包括经新型硅烷偶联剂表面处理的无机填料和新型医用和/或牙科可固化组合物。该硅烷偶联剂包括在特定位置具有尿素键和聚乙二醇（醚键）等重复单元。
• Prokineticin 1 receptor antagonists
  申请人：Coats Steven J.

  公开号：US20080269225A1

  公开（公告）日：2008-10-30

  The present invention relates to certain novel compounds of Formula (I): and methods for preparing these compounds, compositions, intermediates and derivatives thereof and for the treatment of prokineticin 1 or prokinetin 1 receptor mediated disorders.

  本发明涉及某些化合物的新颖结构，其化学式为（I）：以及制备这些化合物、组合物、中间体和衍生物的方法，以及用于治疗促动素1或促动素1受体介导的疾病的方法。
• PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN
  申请人：Flores Christopher M.

  公开号：US20110319418A1

  公开（公告）日：2011-12-29

  Disclosed are compounds, compositions and methods for treating pain, including inflammatory, visceral, and acute pain. Such compounds are represented by Formula (I) as follows: wherein A 1 , L 1 , D, L 2 , and Q are defined herein.

  揭示了用于治疗疼痛的化合物、组合物和方法，包括炎症性、内脏性和急性疼痛。这些化合物由以下式（I）表示： 其中A1、L1、D、L2和Q在此处定义。
• DENTAL CEMENT
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20170135909A1

  公开（公告）日：2017-05-18

  The present invention provides a dental cement that exhibits excellent adhesiveness to dentin and has high mechanical strength. The present invention relates to a multi-part dental cement containing: an asymmetric acrylamide-methacrylic acid ester compound (a); an acid group-containing (meth)acrylic polymerizable monomer (b); a hydrophobic crosslinkable polymerizable monomer (c); a chemical polymerization initiator (d); and a filler (e). The asymmetric acrylamide-methacrylic acid ester compound (a) is represented by the following general formula (1): where X is an optionally substituted, linear or branched C 1 to C 6 aliphatic group or an optionally substituted aromatic group, the aliphatic group is optionally interrupted by at least one linking group selected from the group consisting of —O—, —S—, —CO—, —CO—O—, —O—CO—, —NR 1 —, —CO—NR 1 —, —NR 1 —CO—, —CO—O—NR 1 —, —O—CO—NR 1 —, and —NR 1 —CO—NR 1 —, and R 1 is a hydrogen atom or an optionally substituted, linear or branched C 1 to C 6 aliphatic group.

  本发明提供一种对牙本质具有良好粘附性并具有高机械强度的牙科水泥。本发明涉及一种含有多部分的牙科水泥，包括：一种不对称的丙烯酰胺-甲基丙烯酸酯化合物（a）；一种含酸基的（甲基）丙烯酸聚合单体（b）；一种疏水性交联聚合单体（c）；一种化学聚合引发剂（d）；和一种填料（e）。不对称的丙烯酰胺-甲基丙烯酸酯化合物（a）由以下一般式（1）表示：其中X是可选择取代的线性或支链的C1到C6脂肪族基团或可选择取代的芳香族基团，脂肪族基团可选择地被来自由—O—、—S—、—CO—、—CO—O—、—O—CO—、—NR1—、—CO—NR1—、—NR1—CO—、—CO—O—NR1—、—O—CO—NR1—和—NR1—CO—NR1—组成的至少一种连接基团中断，且R1是氢原子或可选择取代的线性或支链的C1到C6脂肪族基团。
• DENTAL ADHESIVE
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20170196778A1

  公开（公告）日：2017-07-13

  The present invention provides a dental adhesive exhibiting excellent initial bond strength and bond durability to both enamel and dentin. The present invention relates to a dental adhesive containing: an asymmetric acrylamide-methacrylic acid ester compound (a); an acid group-containing (meth)acrylic polymerizable monomer (b); and a water-soluble polymerizable monomer (c). The asymmetric acrylamide-methacrylic acid ester compound (a) is represented by the following general formula (1): where X is an optionally substituted, linear or branched C 1 to C 6 aliphatic group or an optionally substituted aromatic group, the aliphatic group is optionally interrupted by at least one linking group selected from the group consisting of —O—, —S—, —CO—, —CO—O—, —O—CO—, —NR 1 —, —CO—NR 1 —, —NR 1 —CO—, —CO—O—NR 1 —, —O—CO—NR 1 —, and —NR 1 —CO—NR 1 —, and R 1 is a hydrogen atom or an optionally substituted, linear or branched C 1 to C 6 aliphatic group.

  本发明提供了一种牙科粘接剂，具有优异的初始粘接强度和对牙釉质和牙本质的粘接耐久性。本发明涉及一种含有以下成分的牙科粘接剂：不对称丙烯酰胺-甲基丙烯酸酯化合物（a）；含酸基的（甲基）丙烯酸聚合单体（b）；以及水溶性聚合单体（c）。不对称丙烯酰胺-甲基丙烯酸酯化合物（a）由下述一般式（1）表示：其中X是可选择取代的线性或支链状的C1到C6脂肪族基或可选择取代的芳香族基，所述脂肪族基可被来自由—O—、—S—、—CO—、—CO—O—、—O—CO—、—NR1—、—CO—NR1—、—NR1—CO—、—CO—O—NR1—、—O—CO—NR1—和—NR1—CO—NR1—组成的至少一个连接基中断，R1为氢原子或可选择取代的线性或支链状的C1到C6脂肪族基。