3-butyl-5-methyl-imidazolidine-2,4-dione | 19360-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-butyl-5-methyl-imidazolidine-2,4-dione
• 英文别名: 3-n-butyl-5-methylhydantoin；3-Butyl-5-methylimidazolidine-2,4-dione
• CAS: 19360-46-4
• 化学式: C₈H₁₄N₂O₂
• 分子量: 170.211
• InChiKey: QCPGQNBZAJICIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-butyl-5-methyl-imidazolidine-2,4-dione 以 N-甲基乙酰胺 为溶剂， 生成 1,3-Di-n-butyl-5-methylhydantoin
  参考文献：
  名称：

  Method of treating asthma with alkyl, alkylidene and alkylene hydantoins

  摘要：

  描述了一种包含式(I)的咪唑啉的制药配方：其中R.sup.1是C.sub.1-4烷基，R.sup.2是氢或C.sub.1-4烷基；或者R.sup.1和R.sup.2一起表示C.sub.4-6烷基烃基或者公式的基团：其中R.sup.5和R.sup.6独立地表示氢或C.sub.1-4烷基；R.sup.3是C.sub.1-6烷基或苄基；R.sup.4是氢或C.sub.1-6烷基；条件是R.sup.2和R.sup.4不能同时为氢；或者R.sup.1和R.sup.4一起表示C.sub.2-4烷基烃基；与其相配的药用载体相关联。这些化合物中的一些是新颖的，可用于治疗哮喘等即时过敏性疾病。

  公开号：

  US04230709A1

文献信息

• Apparatus for multiple simultaneous synthesis
  申请人：Warner-Lambert Company

  公开号：US05567391A1

  公开（公告）日：1996-10-22

  An apparatus and method which provides a suitable location for multiple, simultaneous synthesis of compounds. The apparatus consists of: a reservoir block having a plurality of wells; a plurality of reaction tubes, usually gas dispersion tubes, having filters on their lower ends; a holder block, having a plurality of apertures; and a manifold, which may have ports to allow introduction/maintenance of a controlled environment. The manifold top wall has apertures and a detachable plate with identical apertures. The apparatus is constructed from materials which will accommodate heating, cooling, agitation, or corrosive reagents. Gaskets are placed between the components. Rods or clamps are provided for fastening the components together. Apparatus operation involves placing the filters on the lower ends of the reaction tubes in the reservoir block wells, and the upper ends passing through the holder block apertures and into the manifold. The apparatus provides in excess of 1 mg of each product with structural knowledge and control over each compound. The apparatus can be adapted to manual, semiautomatic or fully automatic performance. Using the apparatus a series of building blocks are covalently attached to a solid support. These building blocks are then modified by covalently adding additional different building blocks or chemically modifying some existing functionality until the penultimate structure is achieved. This is then cleaved from the solid support by another chemical reaction into the solution within the well yielding an array of newly synthesized individual compounds, which after postreaction modification, if necessary, are suitable for testing for activity.

  一种提供适合多个化合物同时合成的合适位置的装置和方法。该装置由以下组成：具有多个孔的储液块；多个反应管，通常为气体分散管，其下端具有过滤器；具有多个孔的支架块；以及可能具有端口以允许引入/维持受控环境的集流器。集流器顶壁具有孔和带有相同孔的可拆卸板。该装置由能够适应加热、冷却、搅拌或腐蚀试剂的材料构建。在组件之间放置垫圈。提供杆或夹具以将组件固定在一起。装置操作涉及将过滤器放置在反应管的下端，放入储液块的孔中，然后将其上端穿过支架块的孔并进入集流器。该装置可提供每种产物超过1毫克的结构知识和对每种化合物的控制。该装置可适应手动、半自动或全自动性能。使用该装置，一系列构建块被共价地附加到固体支撑上。然后通过共价地添加其他不同的构建块或化学修饰某些现有的功能来修改这些构建块，直到达到次终结构。然后通过另一种化学反应从固体支撑中将其分离到孔内的溶液中，产生一系列新合成的单个化合物，经过必要的后反应修饰后，适合进行活性测试。
• APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0663856A1

  公开（公告）日：1995-07-26
• US4230709A
  申请人：——

  公开号：US4230709A

  公开（公告）日：1980-10-28
• US5324483A
  申请人：——

  公开号：US5324483A

  公开（公告）日：1994-06-28
• US5567391A
  申请人：——

  公开号：US5567391A

  公开（公告）日：1996-10-22