benzyl (3,3,3-trifluoro-1-methoxypropyl)carbamate | 1562646-38-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl (3,3,3-trifluoro-1-methoxypropyl)carbamate
• 英文别名: benzyl N-(3,3,3-trifluoro-1-methoxypropyl)carbamate
• CAS: 1562646-38-1
• 化学式: C₁₂H₁₄F₃NO₃
• 分子量: 277.243
• InChiKey: ZHIXKQDXDBKZPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 乙烯基氨基甲酸苄酯 、 Umemoto's reagent 在 tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate 作用下， 反应 3.0h， 以19%的产率得到benzyl (3,3,3-trifluoro-1-methoxypropyl)carbamate
  参考文献：
  名称：

  Photoredox-Induced Three-Component Oxy-, Amino-, and Carbotrifluoromethylation of Enecarbamates

  摘要：

  A photoredox-catalzyed trifluoromethylation of enecarbamates process is reported. This pathway uses Togni's reagent as the CF3 source and follows a radical/cationic pathway. Under the optimized conditions using [Ru(bpy)(3)(PF6)(2)] as the photocatalyst, a wide range of substituted enecarbamates can readily be difunctionalized by means of various O, N, and C nudeophiles.

  DOI：

  10.1021/ol500374e

文献信息

• Photoredox-Induced Three-Component Oxy-, Amino-, and Carbotrifluoromethylation of Enecarbamates
  作者：Aude Carboni、Guillaume Dagousset、Emmanuel Magnier、Géraldine Masson

  DOI：10.1021/ol500374e

  日期：2014.2.21

  A photoredox-catalzyed trifluoromethylation of enecarbamates process is reported. This pathway uses Togni's reagent as the CF3 source and follows a radical/cationic pathway. Under the optimized conditions using [Ru(bpy)(3)(PF6)(2)] as the photocatalyst, a wide range of substituted enecarbamates can readily be difunctionalized by means of various O, N, and C nudeophiles.