cyclopropanecarboxylic acid quinolin-3-ylamide | 457957-57-2

• 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: cyclopropanecarboxylic acid quinolin-3-ylamide
• 英文别名: N-quinolin-3-ylcyclopropanecarboxamide
• CAS: 457957-57-2
• 化学式: C₁₃H₁₂N₂O
• mdl: MFCD01593819
• 分子量: 212.251
• InChiKey: LXOVJRMGPSCTSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cyclopropanecarboxylic acid quinolin-3-ylamide 在 platinum(IV) oxide 、 tris-(dibenzylideneacetone)dipalladium(0) 、 氢气 、 sodium t-butanolate 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 20.0~110.0 ℃ 、344.75 kPa 条件下， 生成 N-(1-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl)cyclopropane carboxamide
  参考文献：
  名称：

  Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands

  摘要：

  Two series of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives exhibiting diverse functionality at rat MT1 and MT2 receptors are reported. Compounds 11f and 18b (MT1/MT2 agonist) have human microsomal intrinsic clearance comparable to ramelteon. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.068
• 作为产物：
  描述：

  3-氨基喹啉 、 环丙基甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到cyclopropanecarboxylic acid quinolin-3-ylamide
  参考文献：
  名称：

  Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands

  摘要：

  Two series of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives exhibiting diverse functionality at rat MT1 and MT2 receptors are reported. Compounds 11f and 18b (MT1/MT2 agonist) have human microsomal intrinsic clearance comparable to ramelteon. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.068

文献信息

• Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands
  作者：Guiying Li、Hao Zhou、Yu Jiang、Holger Keim、Sidney W. Topiol、Suresh B. Poda、Yong Ren、Gamini Chandrasena、Darío Doller

  DOI：10.1016/j.bmcl.2010.12.068

  日期：2011.2

  Two series of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives exhibiting diverse functionality at rat MT1 and MT2 receptors are reported. Compounds 11f and 18b (MT1/MT2 agonist) have human microsomal intrinsic clearance comparable to ramelteon. (C) 2010 Elsevier Ltd. All rights reserved.