3-(3-(3-methoxybenzyl)isoxazol-5-yl)pyridin-2-amine | 1277191-35-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 3-(3-(3-methoxybenzyl)isoxazol-5-yl)pyridin-2-amine
• CAS: 1277191-35-1
• 化学式: C₃₅H₄₂O₆
• 分子量: 558.715
• InChiKey: ARPFVLYMHZLPIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.02
• 重原子数：
  41.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-(3-(3-methoxybenzyl)isoxazol-5-yl)pyridin-2-amine 、 3,3'-二氨基苯甲酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以98%的产率得到[4-[4-[[3-[3-[[4-[4-(4-Tetradecoxybenzoyl)oxybenzoyl]oxyphenyl]methylideneamino]benzoyl]phenyl]iminomethyl]phenoxy]carbonylphenyl] 4-tetradecoxybenzoate
  参考文献：
  名称：

  Synthesis and Characterization of Symmetrical Eight Aromatic Ring Containing Bent-Shaped Material Derived from Benzophenone

  摘要：

  A new family of symmetrical eight aromatic ring-containing bent-shaped mesogens in which the central elbow is a ketone has been synthesized and characterized. The effect of the side chain on the mesomorphism has been studied. All the bent derivatives were found to exhibit mesomorphism. The higher homologues of the series exhibit the B1 phase and the lower homologues of the series show the B6 phase.

  DOI：

  10.1080/15421406.2010.526450
• 作为产物：
  描述：

  4-(4-tetradecyloxybenzoyloxy)benzoic acid 在 氯化亚砜 、 水 、 四丁基硫酸氢铵 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-(3-(3-methoxybenzyl)isoxazol-5-yl)pyridin-2-amine
  参考文献：
  名称：

  Synthesis and Characterization of Symmetrical Eight Aromatic Ring Containing Bent-Shaped Material Derived from Benzophenone

  摘要：

  A new family of symmetrical eight aromatic ring-containing bent-shaped mesogens in which the central elbow is a ketone has been synthesized and characterized. The effect of the side chain on the mesomorphism has been studied. All the bent derivatives were found to exhibit mesomorphism. The higher homologues of the series exhibit the B1 phase and the lower homologues of the series show the B6 phase.

  DOI：

  10.1080/15421406.2010.526450