1,3-dimethyl-5-tert-butylbarbituric acid | 7435-62-3

• 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-dimethyl-5-tert-butylbarbituric acid
• 英文别名: 1,3-Dimethyl-5-t-butylbarbituric acid；5-Tert-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 7435-62-3
• 化学式: C₁₀H₁₆N₂O₃
• 分子量: 212.249
• InChiKey: ZROJUTYILRTGLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  1
• 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-dimethyl-5-tert-butylbarbituric acid 在 氘代甲醇-d 作用下， 以 重水 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Barbituric acids as carbon acids. Acidity relationships and proton and deuteron transfer in 1,3-dimethyl-5-tert-butyl- and 5-tert-butylbarbituric acids

  摘要：

  DOI：

  10.1021/ja00236a027
• 作为产物：
  描述：

  叔丁基丙二酸二乙酯 在 sodium hydroxide 、 sodium ethanolate 作用下， 以 乙醇 、 异丙醚 、 水 为溶剂， 反应 12.0h， 生成 1,3-dimethyl-5-tert-butylbarbituric acid
  参考文献：
  名称：

  Barbituric acids as carbon acids. Acidity relationships and proton and deuteron transfer in 1,3-dimethyl-5-tert-butyl- and 5-tert-butylbarbituric acids

  摘要：

  DOI：

  10.1021/ja00236a027

文献信息

• C–H Acidity of barbituric acids
  作者：David A. Buckingham、Charles R. Clark、Robert H. McKeown、Wong Ooi

  DOI：10.1039/c39840001440

  日期：——

  The C-5-acidity of barbituric acids is correlated with the rates of proton transfer to and from that carbon atom.

  巴比妥酸的C-5酸度与质子往返于该碳原子的转移速率相关。
• Dental Composite Resin Cement, Dental Primer and Dental Adhesive Kit Containing Them
  申请人：Torii Keisuke

  公开号：US20090048366A1

  公开（公告）日：2009-02-19

  The present invention provides a dental resin cement which is excellent in a mechanical strength, workability and storage stability, and a dental primer which significantly improves adhesiveness of the dental resin cement both to enamel and dentin of a tooth. According to the present invention, a salt of barbituric acid is used as a polymerization initiator in the dual-cure two-paste type dental resin cement being excellent in workability and storage stability to improve the storage stability, and a primer containing barbituric acid and amine is applied to a surface of a tooth to significantly improve adhesiveness of the dental resin cement both to enamel and dentin of teeth.

  本发明提供了一种牙科树脂水泥，具有优异的机械强度、可操作性和储存稳定性，以及一种显著改善牙科树脂水泥对牙齿釉质和牙本质的粘附性的牙科底漆。根据本发明，在双重固化两种糊状型牙科树脂水泥中，使用戊二酰脲酸盐作为聚合引发剂，以提高储存稳定性，并且在牙齿表面涂抹含有戊二酰脲酸和胺的底漆，以显著提高牙科树脂水泥对牙齿釉质和牙本质的粘附性。
• TOOTH SURFACE TREATMENT
  申请人：KABUSHIKI KAISHA SHOFU

  公开号：EP0702948A1

  公开（公告）日：1996-03-27

  A tooth surface treatment which contains a water-soluble polymer catalyst and a water-soluble acid compound and improves the adhesiveness of the tooth substance and aims at providing a powerful adhesiveness to the enamel and dentin of a tooth substance by simultaneous treatment. Although it is mainly intended for the field of dentistry, it is also applicable to the fields of surgery, orthopedic surgery or plastic surgery.

  一种牙齿表面处理剂，含有水溶性聚合物催化剂和水溶性酸化合物，可提高牙齿物质的粘合力，目的是通过同时处理，为牙齿物质的珐琅质和牙本质提供强大的粘合力。虽然它主要用于牙科领域，但也适用于外科、矫形外科或整形外科领域。
• DENTAL CURABLE COMPOSITION INCLUDING CHAIN TRANSFER AGENT
  申请人：Shofu Inc.

  公开号：EP2962677A2

  公开（公告）日：2016-01-06

  The present application relates to a dental curable composition that can be suitably used as a dental material that can substitute part or all of a natural tooth, in particular, a resin material for dental cutting and machining in the field of dental care. An object of the present application is to provide a dental curable composition in which, when a block shape usable as a resin material for dental cutting and machining is produced while mechanical properties such as hardness, bending strength and compressive strength as well as aesthetic property required for a crown prosthetic appliance are maintained, the dental curable composition can be molded and processed with pressure and heating while strain generated in the block is reduced and no cracks and chipping occur. There is provided a dental curable composition including (a) a polymerizable monomer and (b) a filler in a weight ratio of 10:90 to 70:30, and including 0.01 to 10 parts by weight of (c) a polymerization initiator and 0.001 to 1 part by weight of (d) a chain transfer agent being a terpenoid compound based on 100 parts by weight of the polymerizable monomer (a).

  本申请涉及一种牙科固化组合物，该组合物可适当用作可替代部分或全部天然牙齿的牙科材料，尤其是牙科护理领域中用于牙科切割和加工的树脂材料。本申请的一个目的是提供一种牙科固化组合物，在制造可用作牙科切割和加工用树脂材料的块状物时，在保持硬度、弯曲强度和抗压强度等机械性能以及牙冠修复装置所需的美观性能的同时，牙科固化组合物可以通过加压和加热进行成型和加工，同时减少块状物中产生的应变，不会出现裂纹和崩裂。本发明提供了一种牙科固化组合物，包括(a)可聚合单体和(b)填料，重量比为 10:90 至 70:30，还包括 0.01 至 10 重量份的(c)聚合引发剂和 0.001 至 1 重量份的(d)链转移剂，(d)链转移剂为萜类化合物，以 100 重量份的可聚合单体(a)为基准。
• DENTAL CONDITIONING COMPOSITION
  申请人：Kabushiki Kaisha Shofu

  公开号：EP2979678A1

  公开（公告）日：2016-02-03

  An object of the present invention is to provide a dental conditioning composition that enhances the adhesiveness of any dental material for a tooth surface by suppressing any excessive demineralization for the tooth surface and improving the polymerization activity of a dental adhesive composition by causing a polymerization catalyst included in the dental conditioning composition of the present invention to remain on the tooth surface. Solution A dental conditioning composition having a gel character, that includes a polymerization catalyst, an acidic compound, water, and a thickening agent, and whose pH (the hydrogen ion exponent) is in a range from 0.1 to 0.9.

  本发明的目的是提供一种牙科调理组合物，通过抑制牙齿表面的过度脱矿，提高任何牙科材料对牙齿表面的粘附性，并通过使本发明的牙科调理组合物中包含的聚合催化剂留在牙齿表面，提高牙科粘合剂组合物的聚合活性。 解决方案 一种具有凝胶特性的牙科调理组合物，包括聚合催化剂、酸性化合物、水和增稠剂，其 pH 值（氢离子指数）在 0.1 至 0.9 之间。