(4-(2-hydroxyphenyl)piperazin-1-yl)(4-methoxyphenyl)methanone | 1388470-24-3

• 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: (4-(2-hydroxyphenyl)piperazin-1-yl)(4-methoxyphenyl)methanone
• 英文别名: [4-(2-Hydroxyphenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
• CAS: 1388470-24-3
• 化学式: C₁₈H₂₀N₂O₃
• 分子量: 312.368
• InChiKey: JDKBNZYHZGQZRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-碘苯甲醚 在 吡啶 、 N-甲基二环己基胺 、 sodium acetate 、 palladium diacetate 、 三乙胺 、 双(2-二苯基磷苯基)醚 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 44.0h， 生成 (4-(2-hydroxyphenyl)piperazin-1-yl)(4-methoxyphenyl)methanone
  参考文献：
  名称：

  Pd-Catalyzed Thiocarbonylation with Stoichiometric Carbon Monoxide: Scope and Applications

  摘要：

  A general protocol for the Pd-catalyzed thiocarbonylation of aryl iodides with stoichiometric carbon monoxide has been established employing a catalytic system composed of Pd(OAc)(2) and DPEphos with low catalyst loading (1 mol %). Both electron-rich and -deficient aryl iodides proved effective for these couplings with aryl and alkyl thiols. The choice of the metal ligands and the solvent system was crucial for the efficiency and chemoselectivity of these transformations.

  DOI：

  10.1021/ol400138m

文献信息

• Pd-Catalyzed Thiocarbonylation with Stoichiometric Carbon Monoxide: Scope and Applications
  作者：Mia N. Burhardt、Rolf H. Taaning、Troels Skrydstrup

  DOI：10.1021/ol400138m

  日期：2013.2.15

  A general protocol for the Pd-catalyzed thiocarbonylation of aryl iodides with stoichiometric carbon monoxide has been established employing a catalytic system composed of Pd(OAc)(2) and DPEphos with low catalyst loading (1 mol %). Both electron-rich and -deficient aryl iodides proved effective for these couplings with aryl and alkyl thiols. The choice of the metal ligands and the solvent system was crucial for the efficiency and chemoselectivity of these transformations.