N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-8-yloxy)acetamide | 1009867-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-8-yloxy)acetamide
• 英文别名: N-[2-(4-methoxyphenyl)ethyl]-2-quinolin-8-yloxyacetamide
• CAS: 1009867-22-4
• 化学式: C₂₀H₂₀N₂O₃
• 分子量: 336.39
• InChiKey: ZZSIOHUYDKNNMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-8-yloxy)acetamide 、 对苯二酚 以 甲醇 为溶剂， 反应 120.0h， 以54%的产率得到N-(4-methoxyphenethyl)-2-(quinolin-8-yloxy)acetamide compound with hydroquinone (1:1)
  参考文献：
  名称：

  Structural study on few co-crystals and a salt of quinoline derivatives having amide bond

  摘要：

  The N-[2-(4-Methoxy-phenyl)-ethyl]-2-(quinolin-8-yloxy)-acetamide forms 1:1 co-crystals with aromatic diols namely 1,4-dihydroxybenzene, 1,5-dihydroxynaphthalene. in the later case co-crystal is formed in hydrated form. The hydrated form of co-crystal with 1,5-naphthalenediol has two symmetry independent host molecules in its unit cell, whereas such phenomenon in the co-crystal 1,4-dihydroxybenzene is not observed. The crystal structure of perchloric acid salt of (Quinolin-8-ylamino)-acetic acid is determined and this salt also shows two symmetry independent parent molecules in unit cell. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.06.029
• 作为产物：
  描述：

  8-羟基喹啉 、 2-bromo-N-(4-methoxyphenethyl)acetamide 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 10.0h， 生成 N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-8-yloxy)acetamide
  参考文献：
  名称：

  Structural study on few co-crystals and a salt of quinoline derivatives having amide bond

  摘要：

  The N-[2-(4-Methoxy-phenyl)-ethyl]-2-(quinolin-8-yloxy)-acetamide forms 1:1 co-crystals with aromatic diols namely 1,4-dihydroxybenzene, 1,5-dihydroxynaphthalene. in the later case co-crystal is formed in hydrated form. The hydrated form of co-crystal with 1,5-naphthalenediol has two symmetry independent host molecules in its unit cell, whereas such phenomenon in the co-crystal 1,4-dihydroxybenzene is not observed. The crystal structure of perchloric acid salt of (Quinolin-8-ylamino)-acetic acid is determined and this salt also shows two symmetry independent parent molecules in unit cell. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.06.029

文献信息

• Structural study on few co-crystals and a salt of quinoline derivatives having amide bond
  作者：Anirban Karmakar、Dipjyoti Kalita、Jubaraj B. Baruah

  DOI：10.1016/j.molstruc.2009.06.029

  日期：2009.10

  The N-[2-(4-Methoxy-phenyl)-ethyl]-2-(quinolin-8-yloxy)-acetamide forms 1:1 co-crystals with aromatic diols namely 1,4-dihydroxybenzene, 1,5-dihydroxynaphthalene. in the later case co-crystal is formed in hydrated form. The hydrated form of co-crystal with 1,5-naphthalenediol has two symmetry independent host molecules in its unit cell, whereas such phenomenon in the co-crystal 1,4-dihydroxybenzene is not observed. The crystal structure of perchloric acid salt of (Quinolin-8-ylamino)-acetic acid is determined and this salt also shows two symmetry independent parent molecules in unit cell. (C) 2009 Elsevier B.V. All rights reserved.