6-trifluoromethyl-2-dimethylamino-5-tetradecyl-1,3-oxazin-4-one | 164021-22-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6-trifluoromethyl-2-dimethylamino-5-tetradecyl-1,3-oxazin-4-one
• 英文别名: 2-Dimethylamino-5-tetradecyl-6-trifluoromethyl-[1,3]oxazin-4-one；2-(dimethylamino)-5-tetradecyl-6-(trifluoromethyl)-1,3-oxazin-4-one
• CAS: 164021-22-1
• 化学式: C₂₁H₃₅F₃N₂O₂
• 分子量: 404.516
• InChiKey: FRQWJHMXMXOCNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  28
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-trifluoromethyl-2-dimethylamino-5-tetradecyl-1,3-oxazin-4-one 在 三氟乙酸 作用下， 以 乙醚 、 水 为溶剂， 反应 96.0h， 以75%的产率得到6-trifluoromethyl-5-tetradecyl-1,3-oxazine-2,4-dione
  参考文献：
  名称：

  Trifluoromethyl ketones from carboxylic acids. Part II. A versatile access to trifluoromethylated heterocycles

  摘要：

  Various trifluoromethylated heterocycles can be prepared in good yield from carboxylic acid chlorides by reaction with pyridine and trifluoroacetic anhydride followed by capture of the intermediate trifluoroacyl ketene with suitable reagents.

  DOI：

  10.1016/0040-4020(95)00007-u
• 作为产物：
  描述：

  二甲基氢胺 、 2,2-dimethyl-4-oxo-5-tetradecyl-6-trifluoromethyl-1,3-dioxine 以 甲苯 为溶剂， 反应 8.0h， 以65%的产率得到6-trifluoromethyl-2-dimethylamino-5-tetradecyl-1,3-oxazin-4-one
  参考文献：
  名称：

  Trifluoromethyl ketones from carboxylic acids. Part II. A versatile access to trifluoromethylated heterocycles

  摘要：

  Various trifluoromethylated heterocycles can be prepared in good yield from carboxylic acid chlorides by reaction with pyridine and trifluoroacetic anhydride followed by capture of the intermediate trifluoroacyl ketene with suitable reagents.

  DOI：

  10.1016/0040-4020(95)00007-u

文献信息

• Trifluoromethyl ketones from carboxylic acids. Part II. A versatile access to trifluoromethylated heterocycles
  作者：Jean Boivin、Laurent El Kaim、Samir Z Zard

  DOI：10.1016/0040-4020(95)00007-u

  日期：1995.2

  Various trifluoromethylated heterocycles can be prepared in good yield from carboxylic acid chlorides by reaction with pyridine and trifluoroacetic anhydride followed by capture of the intermediate trifluoroacyl ketene with suitable reagents.