3,4-dihydro-N-(6-methoxy-3-pyridinyl)-2(1H)-Isoquinolinecarboxamide | 1208499-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 3,4-dihydro-N-(6-methoxy-3-pyridinyl)-2(1H)-Isoquinolinecarboxamide
• 英文别名: N-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
• CAS: 1208499-66-4
• 化学式: C₁₆H₁₇N₃O₂
• 分子量: 283.33
• InChiKey: WICXJCIWUDDRQR-UHFFFAOYSA-N

物化性质

• 沸点：
  518.8±50.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢异喹啉 以 水 为溶剂， 反应 3.0h， 生成 3,4-dihydro-N-(6-methoxy-3-pyridinyl)-2(1H)-Isoquinolinecarboxamide
  参考文献：
  名称：

  Unprecedented “In Water” Imidazole Carbonylation: Paradigm Shift for Preparation of Urea and Carbamate

  摘要：

  The first "In Water" Imidazolecarbonylation of amine is described. A one pot reaction of carbonylimidazolide in water with a nucleophile provides an efficient and general method for the preparation of urea, carbamates and thiocarbamates. Use of an anhydrous solvent and an inert atmosphere could be avoided. Product precipitate out from the reaction mixture and can be obtained In high purity by filtration, resulting in a simple and scalable method.

  DOI：

  10.1021/ol301009d

文献信息

• COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN
  申请人：CHDI Foundation, Inc.

  公开号：US20210236663A1

  公开（公告）日：2021-08-05

  Provided herein are certain compounds and imaging agents useful for detecting a condition or disorder associated with protein aggregation, compositions thereof, and methods of their use.
• Unprecedented “In Water” Imidazole Carbonylation: Paradigm Shift for Preparation of Urea and Carbamate
  作者：Kamlesh J. Padiya、Sandip Gavade、Bhavana Kardile、Manojkumar Tiwari、Swapnil Bajare、Madhav Mane、Vivek Gaware、Shaji Varghese、Dipak Harel、Suresh Kurhade

  DOI：10.1021/ol301009d

  日期：2012.6.1

  The first "In Water" Imidazolecarbonylation of amine is described. A one pot reaction of carbonylimidazolide in water with a nucleophile provides an efficient and general method for the preparation of urea, carbamates and thiocarbamates. Use of an anhydrous solvent and an inert atmosphere could be avoided. Product precipitate out from the reaction mixture and can be obtained In high purity by filtration, resulting in a simple and scalable method.