3-(3',4'-Dimethoxyphenyl)-4-imidazolidon | 50739-13-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-(3',4'-Dimethoxyphenyl)-4-imidazolidon
• 英文别名: 3-(3,4-dimethoxy-phenyl)-imidazolidin-4-one；3-(3,4-Dimethoxyphenyl)imidazolidin-4-one
• CAS: 50739-13-4
• 化学式: C₁₁H₁₄N₂O₃
• 分子量: 222.244
• InChiKey: ILTLMURTHWTWNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3',4'-Dimethoxyphenyl)-4-imidazolidon 、 1-(3,5-Bis-trifluoromethyl-benzyl)-8-(2-bromo-acetyl)-3-methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione 反应 16.0h， 生成 1-(3,5-Bis-trifluoromethyl-benzyl)-8-{2-[3-(3,4-dimethoxy-phenyl)-4-oxo-imidazolidin-1-yl]-acetyl}-3-methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
  参考文献：
  名称：

  Parallel solution- and solid-Phase synthesis of spirohydantoin derivatives as neurokinin-1 receptor ligands

  摘要：

  The combination of the 3,5-bis(trifluoromethyl)phenyl group with a spirohydantoin motive as a central scaffold was the basis for the design of a combinatorial library targeted towards the neurokinin-1 receptor. A solution-and solid-phase procedure is described and binding affinities of representative compounds presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00488-2