6-methoxy-7-[(1'-methylpiperidin-4'-yl)methoxy]quinazoline | 1208902-99-1

• 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: 6-methoxy-7-[(1'-methylpiperidin-4'-yl)methoxy]quinazoline
• 英文别名: 6-Methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline；6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
• CAS: 1208902-99-1
• 化学式: C₁₆H₂₁N₃O₂
• 分子量: 287.362
• InChiKey: HHDXPNQTHCVHEW-UHFFFAOYSA-N

物化性质

• 沸点：
  419.4±25.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-methoxy-7-[(1'-methylpiperidin-4'-yl)methoxy]quinazoline 在 ammonium cerium (IV) nitrate 、 溶剂黄146 、 sodium hydroxide 作用下， 以 水 为溶剂， 以90%的产率得到6-甲氧基-7-((1-甲基哌啶-4-基)甲氧基)喹唑啉-4(3h)-酮
  参考文献：
  名称：

  A novel approach to quinazolin-4(3H)-one via quinazoline oxidation: an improved synthesis of 4-anilinoquinazolines

  摘要：

  A novel strategy to prepare 4-anilinoquinazoline derivatives based on the oxidation of the quinazoline ring is described. Quinazoline oxidation has been investigated and improved, thus leading to an efficient and high yielding method to quinazolin-4(3H)-ones. Efficiency of this approach has been evaluated synthesizing four well known tyrosine kinase inhibitors and comparing the obtained yields with those achievable through conventional synthetic methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.091
• 作为产物：
  描述：

  ethyl {4-methoxy-3-[(1'-methylpiperidin-4'-yl)methoxy]-phenyl}carbamate 、 乌洛托品 在 三氟乙酸 、 potassium hexacyanoferrate(III) 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 4.18h， 以90%的产率得到6-methoxy-7-[(1'-methylpiperidin-4'-yl)methoxy]quinazoline
  参考文献：
  名称：

  A novel approach to quinazolin-4(3H)-one via quinazoline oxidation: an improved synthesis of 4-anilinoquinazolines

  摘要：

  A novel strategy to prepare 4-anilinoquinazoline derivatives based on the oxidation of the quinazoline ring is described. Quinazoline oxidation has been investigated and improved, thus leading to an efficient and high yielding method to quinazolin-4(3H)-ones. Efficiency of this approach has been evaluated synthesizing four well known tyrosine kinase inhibitors and comparing the obtained yields with those achievable through conventional synthetic methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.11.091

文献信息

• A novel approach to quinazolin-4(3H)-one via quinazoline oxidation: an improved synthesis of 4-anilinoquinazolines
  作者：Giovanni Marzaro、Adriano Guiotto、Giovanni Pastorini、Adriana Chilin

  DOI：10.1016/j.tet.2009.11.091

  日期：2010.1

  A novel strategy to prepare 4-anilinoquinazoline derivatives based on the oxidation of the quinazoline ring is described. Quinazoline oxidation has been investigated and improved, thus leading to an efficient and high yielding method to quinazolin-4(3H)-ones. Efficiency of this approach has been evaluated synthesizing four well known tyrosine kinase inhibitors and comparing the obtained yields with those achievable through conventional synthetic methods. (C) 2009 Elsevier Ltd. All rights reserved.