5-溴-1-甲基咪唑烷-2,4-二酮 | 113259-78-2

• 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: 5-溴-1-甲基咪唑烷-2,4-二酮
• 中文别名: 5-溴-1-甲基乙内酰脲
• 英文名称: 5-Bromo-1-methylimidazolidine-2,4-dione
• CAS: 113259-78-2
• 化学式: C₄H₅BrN₂O₂
• 分子量: 193.0
• InChiKey: QOQRPHHQPCJMPN-UHFFFAOYSA-N

物化性质

• 密度：
  1.870±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  5-溴-1-甲基咪唑烷-2,4-二酮 在 水 、 methyloxirane 作用下， 反应 3.0h， 生成 5-羟基-1-甲基咪唑啉-2,4-二酮
  参考文献：
  名称：

  NOVEL CRYSTAL FORM OF 5-HYDROXY-1-METHYLHYDANTOIN

  摘要：

  公开号：

  EP1493734B1
• 作为产物：
  描述：

  甲酰乙内脲 在 溴 作用下， 以 溶剂黄146 为溶剂， 生成 5-溴-1-甲基咪唑烷-2,4-二酮
  参考文献：
  名称：

  Compounds for treating tumors

  摘要：

  该发明提供了以下式（I）的化合物： 其中E、A、B′、R6、R7、R8和R9在规范中定义，这些化合物表现出抗癌活性，并可用于治疗癌症。

  公开号：

  US20050037977A1

文献信息

• Compounds for treating tumors
  申请人：Zask Arie

  公开号：US20050037977A1

  公开（公告）日：2005-02-17

  The invention provides compounds of formula (I): wherein E, A, B′, R 6 , R 7 , R 8 , and R 9 are defined in the specification which compounds exhibit anticancer activity and are useful for treating cancer.

  该发明提供了以下式（I）的化合物： 其中E、A、B′、R6、R7、R8和R9在规范中定义，这些化合物表现出抗癌活性，并可用于治疗癌症。
• Agent for permanent hair waving containing heterocyclic mercapto compound
  申请人：Showa Denko K.K.

  公开号：US08066977B2

  公开（公告）日：2011-11-29

  Disclosed is an agent for permanent hair waving that can realize permanent hair waving even in the neutral to weakly acidic pH range in which irritation particularly to the skin is not significant. The agent for permanent hair waving includes at least one heterocyclic mercapto compound represented by formula (1): wherein R1 and R2 each independently represent a hydrogen atom or an optionally substituted alkyl group having 1 to 5 carbon atoms; X represents —O—, —S—, —NH—, or —NR3—; R3 represents an alkyl group having 1 to 5 carbon atoms; n is an integer of 0 to 2; and, when n is 2, group SH may be attached to any carbon atom of an alkylene group having 2 carbon atoms.

  本发明公开了一种用于永久性卷发的剂，可在中性至微酸性pH范围内实现永久性卷发，其中对皮肤的刺激不明显。该永久性卷发剂包括至少一种由式（1）表示的杂环巯基化合物： 其中，R1和R2分别独立地表示氢原子或1至5个碳原子的可选取代烷基；X表示—O—、—S—、—NH—或—NR3—；R3表示1至5个碳原子的烷基；n是0至2的整数；当n为2时，巯基SH可以连接到具有2个碳原子的亚烷基中的任何一个碳原子上。
• Agent for Permanent Hair Waving Containing Heterocyclic Mercapto Compound
  申请人：Shibuya Akira

  公开号：US20090208439A1

  公开（公告）日：2009-08-20

  Disclosed is an agent for permanent hair waving that can realize permanent hair waving even in the neutral to weakly acidic pH range in which irritation particularly to the skin is not significant. The agent for permanent hair waving includes at least one heterocyclic mercapto compound represented by formula (1): wherein R 1 and R 2 each independently represent a hydrogen atom or an optionally substituted alkyl group having 1 to 5 carbon atoms; X represents —O—, —S—, —NH—, or —NR 3 —; R 3 represents an alkyl group having 1 to 5 carbon atoms; n is an integer of 0 to 2; and, when n is 2, group SH may be attached to any carbon atom of an alkylene group having 2 carbon atoms.

  本发明公开了一种用于永久性卷发的药剂，可以在中性至微弱酸性pH范围内实现永久性卷发，其中对皮肤的刺激不显著。该永久性卷发药剂包括至少一种由式（1）表示的杂环巯基化合物：其中，R1和R2各自独立表示氢原子或具有1至5个碳原子的可选取代烷基基团；X表示—O—，—S—，—NH—或—NR3—；R3表示具有1至5个碳原子的烷基基团；n为0至2的整数；当n为2时，SH基团可以连接到具有2个碳原子的烷基基团的任何碳原子上。
• Diethyl 2,4-dioxoimidazolidine-5-phosphonates: Horner-Wadsworth-Emmons reagents for the mild and efficient preparation of C-5 unsaturated hydantoin derivatives
  作者：Nicholas A. Meanwell、Herbert R. Roth、Edward C. R. Smith、Donald L. Wedding、J. J. Kim Wright

  DOI：10.1021/jo00024a036

  日期：1991.11

  The phosphonates 19 and 20 were prepared from hydantoin and 1-methylhydantoin, respectively, by way of bromination at C-5 and a subsequent Michaelis-Arbuzov reaction with triethyl phosphite. The Horner-Wadsworth-Emmons-type reagents 19 and 20 were found to react readily with aromatic and aliphatic aldehydes, in the presence of a base, to produce C-5 unsaturated hydantoin derivatives 22 and 26, generally in high yield. The products 22 and 26 were frequently isolated as mixtures of E and Z isomers depending upon the identity of the aldehyde and phosphonate. The isomeric configuration of the products was determined from an analysis of NMR spectral data. Long-range C-13-H-1 coupling constants between the C-4 carbonyl of the hydantoin ring and the olefinic proton were found to be diagnostic of isomer geometry. Conditions were also developed that allowed coupling of 19 and 20 with cyclic and acyclic ketones and alpha-dicarbonyl compounds to afford the corresponding olefinic products. C-5 unsaturated hydantoin derivatives are of synthetic utility as precursors to alpha-amino acid derivatives, pyruvates, and the imidazo[4,5-b]quinolin-2-one heterocyclic ring system, a class of potent inhibitors of low Km cAMP phosphodiesterase and the chromophore present in the siderophore azotobactin.
• NOVEL CRYSTAL FORM OF 5-HYDROXY-1-METHYLHYDANTOIN
  申请人：NIPPON ZOKI PHARMACEUTICAL CO. LTD.

  公开号：EP1493734B1

  公开（公告）日：2011-07-06