2-methylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine | 1416050-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-methylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine
• 英文别名: N-methyl-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
• CAS: 1416050-19-5
• 化学式: C₁₁H₇F₆N₃
• 分子量: 295.187
• InChiKey: FOCFJWJNVZEIQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  六氟乙酰丙酮 在 硫酸 、 铜 、 sodium nitrite 、 三氯氧磷 作用下， 以 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 54.5h， 生成 2-methylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine
  参考文献：
  名称：

  Polymorphic Equilibrium Responsive Thermal and Mechanical Stimuli in Light-emitting Crystals of N-Methylaminonaphthyridine

  摘要：

  Crystal polymorphs of 1,8-naphthyridine derivative, being anti and syn conformers, show a reversible transformation from anti to syn by heating and from syn to anti by grinding with the alteration of emittance intensity, and notably, thermal transformation from anti to syn conformer took place in single-crystal-to-single-crystal (SC-to-SC) form, which was confirmed by a single crystal X-ray crystallography.

  DOI：

  10.1021/ol302963e

文献信息

• Polymorphic Equilibrium Responsive Thermal and Mechanical Stimuli in Light-emitting Crystals of <i>N</i>-Methylaminonaphthyridine
  作者：Naomi Harada、Yuichiro Abe、Satoru Karasawa、Noboru Koga

  DOI：10.1021/ol302963e

  日期：2012.12.21

  Crystal polymorphs of 1,8-naphthyridine derivative, being anti and syn conformers, show a reversible transformation from anti to syn by heating and from syn to anti by grinding with the alteration of emittance intensity, and notably, thermal transformation from anti to syn conformer took place in single-crystal-to-single-crystal (SC-to-SC) form, which was confirmed by a single crystal X-ray crystallography.