4-[[5-[(4-fluorophenyl)methyl]-2-thienyl]ethynyl]-3-hydroxy-1-(4-methoxyphenyl)-2-imidazolidinone

• 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: 4-[[5-[(4-fluorophenyl)methyl]-2-thienyl]ethynyl]-3-hydroxy-1-(4-methoxyphenyl)-2-imidazolidinone
• 英文别名: 4-[2-[5-[(4-Fluorophenyl)methyl]thiophen-2-yl]ethynyl]-3-hydroxy-1-(4-methoxyphenyl)imidazolidin-2-one
• 化学式: C₂₃H₁₉FN₂O₃S
• 分子量: 422.48
• InChiKey: AYWCYOCFNDYXQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (2-oxoethyl)(4-methoxyphenyl)carbamic acid methyl ester 在 盐酸 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 10.0h， 生成 4-[[5-[(4-fluorophenyl)methyl]-2-thienyl]ethynyl]-3-hydroxy-1-(4-methoxyphenyl)-2-imidazolidinone
  参考文献：
  名称：

  A New Route to 4-Ethynyl- N -hydroxy-2-imidazolidinones via Oxime Addition

  摘要：

  A rapid route was developed to afford ethynyl-substituted imidazole derivatives which served as key compounds for aryl-alkynyl-coupling reactions. Addition of mono-silylated acetylene to O-protected oximes was carried out in the absence of Lewis acids, directly affording the title compounds 3a-c in a one-pot reaction. Limitations and dependence of the feasibility on N-1-substituents are discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00306-9

文献信息

• A New Route to 4-Ethynyl- N -hydroxy-2-imidazolidinones via Oxime Addition
  作者：Thomas Ullrich、Peter Sulek、Dieter Binder、Michael Pyerin

  DOI：10.1016/s0040-4020(00)00306-9

  日期：2000.6

  A rapid route was developed to afford ethynyl-substituted imidazole derivatives which served as key compounds for aryl-alkynyl-coupling reactions. Addition of mono-silylated acetylene to O-protected oximes was carried out in the absence of Lewis acids, directly affording the title compounds 3a-c in a one-pot reaction. Limitations and dependence of the feasibility on N-1-substituents are discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.