2-(3-trifluoromethylphenyl)aminomethyl-piperidine | 112230-44-1

• 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: 2-(3-trifluoromethylphenyl)aminomethyl-piperidine
• 英文别名: N-(piperidin-2-ylmethyl)-3-(trifluoromethyl)aniline
• CAS: 112230-44-1
• 化学式: C₁₃H₁₇F₃N₂
• 分子量: 258.287
• InChiKey: PLBQYQKHGHHRGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-trifluoromethylphenyl)aminomethyl-piperidine 在 silica gel 作用下， 以 甲醇 为溶剂， 反应 28.0h， 生成 (R)-2-{(R)-2-[(3-Trifluoromethyl-phenylamino)-methyl]-piperidin-1-yl}-propionic acid ethyl ester
  参考文献：
  名称：

  How to obtain two optical antipodes of an octahydro-2H-pyrido [1,2-a] pyrazine starting from a single chiral synthon.

  摘要：

  The synthesis of a (+)-(R,S)-2-aryl-4-methyl-3-oxo, octahydro-2H-pyrido [1,2-a]pyrazine and of its optical antipode (-)-(S,R)-2-aryl-4-methyl-3-oxo, octahydro-2H-pyrido[1,2-a]pyrazine, with a single synthetic sequence, and by making use of the natural ethyl lactate methansulfonate as the only chiral synthon, is described.

  DOI：

  10.1016/s0957-4166(00)80040-3

文献信息

• How to obtain two optical antipodes of an octahydro-2H-pyrido [1,2-a] pyrazine starting from a single chiral synthon.
  作者：Leandro Baiocchi、Giuseppe Picconi

  DOI：10.1016/s0957-4166(00)80040-3

  日期：1991.1

  The synthesis of a (+)-(R,S)-2-aryl-4-methyl-3-oxo, octahydro-2H-pyrido [1,2-a]pyrazine and of its optical antipode (-)-(S,R)-2-aryl-4-methyl-3-oxo, octahydro-2H-pyrido[1,2-a]pyrazine, with a single synthetic sequence, and by making use of the natural ethyl lactate methansulfonate as the only chiral synthon, is described.