(1S)-1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide | 944703-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: (1S)-1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
• CAS: 944703-14-4
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: VVAZSSGRMQEHMI-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.74
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.55
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (1S)-1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide 在 potassium carbonate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Naphthyl piperazines with dual activity as 5-HT1D antagonists and 5-HT reuptake inhibitors

  摘要：

  SAR around a known molecule with dual 5-HT1D antagonist and 5-HTtransporter inhibitory activity has led to the discovery of molecules with improved dual activity and reduced cross-reactivity toward other aminergic receptors (5-HT1 beta, alpha(1), and D-2). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.101
• 作为产物：
  描述：

  (S)-tert-butyl(2-(5-chloro-1,3-dihydroisobenzofuran-1-yl)ethoxy)dimethylsilane 在 tris(dibenzylideneacetone)dipalladium (0) sodium hydroxide 、 三叔丁基膦 、 四丁基氟化铵 、 双氧水 、 四丁基硫酸氢铵 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 (1S)-1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
  参考文献：
  名称：

  Naphthyl piperazines with dual activity as 5-HT1D antagonists and 5-HT reuptake inhibitors

  摘要：

  SAR around a known molecule with dual 5-HT1D antagonist and 5-HTtransporter inhibitory activity has led to the discovery of molecules with improved dual activity and reduced cross-reactivity toward other aminergic receptors (5-HT1 beta, alpha(1), and D-2). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.101

文献信息

• Naphthyl piperazines with dual activity as 5-HT1D antagonists and 5-HT reuptake inhibitors
  作者：Ana B. Bueno、Jeremy Gilmore、John Boot、Richard Broadmore、Jane Cooper、Jeremy Findlay、Lorna Hayhurst、Alicia Marcos、Carlos Montero、Stephen Mitchell、Graham Timms、Rosemarie Tomlinson、Louise Wallace、Leslie Walton

  DOI：10.1016/j.bmcl.2007.03.101

  日期：2007.6

  SAR around a known molecule with dual 5-HT1D antagonist and 5-HTtransporter inhibitory activity has led to the discovery of molecules with improved dual activity and reduced cross-reactivity toward other aminergic receptors (5-HT1 beta, alpha(1), and D-2). (c) 2007 Elsevier Ltd. All rights reserved.