4-cyclopropylmethoxy-N-[3-(di(morpholin-4-yl)methyl)-8-methylquinolin-7-yl]benzamide | 1582727-59-0

• 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: 4-cyclopropylmethoxy-N-[3-(di(morpholin-4-yl)methyl)-8-methylquinolin-7-yl]benzamide
• CAS: 1582727-59-0
• 化学式: C₃₀H₃₆N₄O₄
• 分子量: 516.64
• InChiKey: LCJCVWMPXCBORT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.16
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  吗啉 、 N-(3-amino-2-methylphenyl)-4-(cyclopropylmethoxy)benzamide 、 2-iminiomethylvinamidinium trichloride monohydrate 以 正丁醇 为溶剂， 反应 3.0h， 以91%的产率得到4-cyclopropylmethoxy-N-[3-(di(morpholin-4-yl)methyl)-8-methylquinolin-7-yl]benzamide
  参考文献：
  名称：

  Synthesis of a stable triformylmethane synthon and its scalable application to 7-acylamino-3-formylquinoline syntheses

  摘要：

  Novel 2-iminiomethylvinamidinium trihalides were isolated as stable crystals and found to be useful triformylmethane synthons with non-deliquescent nature in air. They were easier to manufacture, handle, and store than the known 2-iminiomethylvinamidinium dichloride. By virtue of in situ aminal protection, a combination of the vinamidinium salt with a secondary amine achieved an efficient and scalable synthesis of 7-acylamino-3-formylquinoline, a versatile synthetic intermediate for potent anti-obesity drugs 7-acylamino-3-aminomethy1-8-methylquinolines. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.040