3-(4-nitro-phenyl)-2-thioxo-imidazolidin-4-one | 39123-61-0

• 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-(4-nitro-phenyl)-2-thioxo-imidazolidin-4-one
• 英文别名: 3-(4-Nitro-phenyl)-2-thioxo-imidazolidin-4-on；3-(4-Nitrophenyl)-2-sulfanylideneimidazolidin-4-one
• CAS: 39123-61-0
• 化学式: C₉H₇N₃O₃S
• 分子量: 237.239
• InChiKey: KNAKILYFQYDTIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Fmoc-甘氨酸 、 异硫代氰基4-硝基苯酯 生成 3-(4-nitro-phenyl)-2-thioxo-imidazolidin-4-one
  参考文献：
  名称：

  Microwave-assisted traceless synthesis of thiohydantoin

  摘要：

  An efficient, microwave-assisted method for the liquid-phase combinatorial synthesis of 3,5-disubstituted-thiohydantoin has been developed. Fmoc-protected amino acids were coupled with HO-PEG-OH and after deprotection, reacted with various isothiocyanates in microwave cavity. The PEG bound thiourea compounds underwent base mediated cyclization/cleavage step by microwave flash heating. The desired products were then liberated from the soluble matrix in good yield and purity under microwave exposure. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.156

文献信息

• Coghill; Johnson, Journal of the American Chemical Society, 1925, vol. 47, p. 191
  作者：Coghill、Johnson

  DOI：——

  日期：——