乙内酰脲杂质21 | 69489-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 乙内酰脲杂质21
• 英文名称: 5-(4-methylphenyl)imidazolidine-2,4-dione
• 英文别名: 5-p-tolyl-imidazolidine-2,4-dione；5-p-Tolyl-imidazolidin-2,4-dion
• CAS: 69489-37-8
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: CSJOIZOYRMNZDL-UHFFFAOYSA-N

物化性质

• 熔点：
  180-182°C
• 溶解度：
  DMSO（轻微）、甲醇（轻微、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙内酰脲杂质21 在 sodium hydroxide 作用下， 生成 氨基-P-甲苯基乙酸
  参考文献：
  名称：

  272. 6-氨基青霉烯酸的衍生物。第一部分：α-氨基苄青霉素和一些相关化合物

  摘要：

  DOI：

  10.1039/jr9620001440
• 作为产物：
  描述：

  对甲基苯甲醛 在 potassium cyanide 、 乙醇 、 碳酸氢铵 作用下， 生成 乙内酰脲杂质21
  参考文献：
  名称：

  Identification of Carbonyl Compounds through Conversion into Hydantoins¹

  摘要：

  DOI：

  10.1021/ja01255a014

文献信息

• [EN] MACROMOLECULAR COMPOSITIONS FOR BINDING SMALL MOLECULES<br/>[FR] COMPOSITIONS MACROMOLÉCULAIRES POUR LA LIAISON DE PETITES MOLÉCULES
  申请人：STICHTING TECHNISCHE WETENSCHAPPEN

  公开号：WO2021099577A1

  公开（公告）日：2021-05-27

  The present invention relates to a method for preparing a macromolecular composition comprising phenylglyoxaldehyde-derivatives. The invention also relates to the macromolecular compositions per se, and to methods of using the macromolecular compositions. The macromolecular compositions are useful for undergoing subsequent reactions with small molecules, for instance to remove such small molecules from a solution.

  本发明涉及一种制备含苯甘醛衍生物的大分子组合物的方法。该发明还涉及大分子组合物本身，以及使用该大分子组合物的方法。这些大分子组合物可用于与小分子进行后续反应，例如从溶液中去除这些小分子。
• A one-pot synthesis of 5,5-disubstituted hydantoin derivatives using magnetic Fe3O4 nanoparticles as a reusable heterogeneous catalyst
  作者：Javad Safari、Leila Javadian

  DOI：10.1016/j.crci.2013.06.005

  日期：2013.12

  Résumé A facile and rapid method for the one-pot synthesis of 5,5-disubstituted hydantoins in the presence of magnetic Fe3O4 nanoparticles has been developed. The multicomponent reactions of carbonyl compounds (aldehydes and ketones), potassium cyanide and ammonium carbonate were carried out under solvent-free conditions to obtain various hydantoin derivatives. The magnetic catalyst could be readily separated by an external magnet from the reaction mixture. This procedure has many advantages, such as the use of a reusable magnetic catalyst, high yields, short reaction times, simplicity and very easiness with implementing the methodology. Supplementary Materials: Supplementary material for this article is supplied as a separate file: mmc1.docx

  Résumé 在磁性 Fe3O4 纳米粒子存在下，开发了一种简便快速的 5,5-二取代海因一锅合成法。在无溶剂条件下，羰基化合物（醛和酮）、氰化钾和碳酸铵发生多组分反应，得到各种海因衍生物。磁性催化剂很容易通过外部磁铁从反应混合物中分离出来。该方法有许多优点，如使用可重复使用的磁性催化剂、产率高、反应时间短、操作简单、易于实施等。 补充材料： 本文的补充材料以单独文件形式提供：mmc1.docx
• Microwave-Promoted Facile and Rapid Synthesis Procedure for the Efficient Synthesis of 5,5-Disubstituted Hydantoins
  作者：Javad Safari、Soheila Gandomi-Ravandi、Leila Javadian

  DOI：10.1080/00397911.2012.730647

  日期：2013.12.2

  Abstract A fast, general, environmentally friendly, and facile method for preparation of 5, 5-disubstituted hydantoins from the reaction between ketone (or aldehyde) derivatives with KCN and ammonium carbonate under microwave irradiation is presented. The microwaves remarkably accelerated this reaction, the reaction times decreased dramatically, the reaction conditions were milder, and the yields were

  摘要 提出了一种快速、通用、环保、简便的方法，由酮（或醛）衍生物与 KCN 和碳酸铵在微波辐射下反应制备 5, 5-二取代乙内酰脲。微波显着加速了该反应，反应时间显着减少，反应条件温和，产率也更高。还进行了微波与经典条件的比较研究。所有产物均通过红外、核磁共振和CHN分析表征，其熔点与文献报道的已知化合物的熔点相同。这种方法可能在未来用于制备类似的衍生物。[本文提供补充材料。去出版商'
• Production of ring-substituted D-phenylglycines by microbial or enzymatic hydrolysis/deracemisation of the corresponding DL-hydantoins
  作者：Maria J. Garcia、Robert Azerad

  DOI：10.1016/s0957-4166(96)00488-0

  日期：1997.1

  A series of 17 ring-mono and -disubstituted D-phenylglycine derivatives was prepared in high enantiomeric purity by enzymatic hydrolysis and deracemisation of the corresponding DL-hydantoins, using D-hydantoinase activities of microorganisms or purified enzymes, followed by diazotation of the resulting N-carbamyl D-amino acids. No significant L-hydantoinase activity was found to produce the corresponding L-enantiomers. (C) 1997, Elsevier Science Ltd. All rights reserved.
• Li, Jital; Li, Lijun; Li, Tongshuang, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 3, p. 298 - 300
  作者：Li, Jital、Li, Lijun、Li, Tongshuang、Waog, Jianzhong

  DOI：——

  日期：——