2-methyl-1-phenyl-2-(trifluoromethyl)pyrrolidine | 1310563-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-methyl-1-phenyl-2-(trifluoromethyl)pyrrolidine
• 英文别名: 1-Phenyl-2-methyl-2-(trifluoromethyl)pyrrolidine
• CAS: 1310563-95-1
• 化学式: C₁₂H₁₄F₃N
• 分子量: 229.245
• InChiKey: WQKYNMAAQMUKJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  pent-4-yn-1-yl methanesulfonate 在 水 、 silver fluoride 作用下， 以 1,4-二氧六环 、 二甲基亚砜 为溶剂， 反应 5.67h， 生成 2-methyl-1-phenyl-2-(trifluoromethyl)pyrrolidine
  参考文献：
  名称：

  Synthesis of α-CN and α-CF₃ N-Heterocycles through Tandem Nucleophilic Additions

  摘要：

  Using a readily available secondary aminoalkyne as starting material, a powerful strategy was discovered to prepare precursors of biologically important unnatural cyclic aminoacids and fluorinated N-heterocycles with important ring sizes (e.g., 5-7) in a one-pot reaction using two nucleophilic additions in a tandem fashion.

  DOI：

  10.1021/ol2011902

文献信息

• Synthesis of α-CN and α-CF₃ N-Heterocycles through Tandem Nucleophilic Additions
  作者：Junbin Han、Bo Xu、Gerald B. Hammond

  DOI：10.1021/ol2011902

  日期：2011.7.1

  Using a readily available secondary aminoalkyne as starting material, a powerful strategy was discovered to prepare precursors of biologically important unnatural cyclic aminoacids and fluorinated N-heterocycles with important ring sizes (e.g., 5-7) in a one-pot reaction using two nucleophilic additions in a tandem fashion.