5-(5-氯噻吩-2-基)-5-甲基咪唑烷-2,4-二酮 | 62032-04-6

• 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-(5-氯噻吩-2-基)-5-甲基咪唑烷-2,4-二酮
• 英文名称: 5-(5-chloro-thiophen-2-yl)-5-methyl-imidazolidine-2,4-dione
• 英文别名: 5-(5-Chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
• CAS: 62032-04-6
• 化学式: C₈H₇ClN₂O₂S
• mdl: MFCD12170272
• 分子量: 230.675
• InChiKey: CQWHUAFWPCXFNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(5-氯噻吩-2-基)-5-甲基咪唑烷-2,4-二酮 在 sodium hydroxide 、 氯 作用下， 生成 1,3-二氯-5-(5-氯噻吩-2-基)-5-甲基咪唑烷-2,4-二酮
  参考文献：
  名称：

  Hydantoins as antitumor agents

  摘要：

  A series of 27 hydantoins was prepared and tested as antitumor agents. These were variously substituted in the 5 position but with special emphasis on the substituents (chloro, acetyl, chloroacetyl, and methyl) in the 1 and/or 3 positions. The most active compound was 5,5-bis(4-chlorophenyl)-1,3-dichlorohydantoin with a T/C value of 190% against P-388 lymphocytic leukemia in mice.

  DOI：

  10.1021/jm00214a031
• 作为产物：
  描述：

  2-乙酰基-5-氯噻酚 、 氰化钾 在 碳酸氢铵 作用下， 生成 5-(5-氯噻吩-2-基)-5-甲基咪唑烷-2,4-二酮
  参考文献：
  名称：

  Hydantoins as antitumor agents

  摘要：

  A series of 27 hydantoins was prepared and tested as antitumor agents. These were variously substituted in the 5 position but with special emphasis on the substituents (chloro, acetyl, chloroacetyl, and methyl) in the 1 and/or 3 positions. The most active compound was 5,5-bis(4-chlorophenyl)-1,3-dichlorohydantoin with a T/C value of 190% against P-388 lymphocytic leukemia in mice.

  DOI：

  10.1021/jm00214a031

文献信息

• Hydantoins as antitumor agents
  作者：Thomas R. Rodgers、Maurice P. LaMontagne、Anica Markovac、Arthur B. Ash

  DOI：10.1021/jm00214a031

  日期：1977.4

  A series of 27 hydantoins was prepared and tested as antitumor agents. These were variously substituted in the 5 position but with special emphasis on the substituents (chloro, acetyl, chloroacetyl, and methyl) in the 1 and/or 3 positions. The most active compound was 5,5-bis(4-chlorophenyl)-1,3-dichlorohydantoin with a T/C value of 190% against P-388 lymphocytic leukemia in mice.