2-(5-Carbamoyl-1,3-dihydro-2-benzofuran-1-yl)ethyl methanesulfonate | 556108-35-1

• 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: 2-(5-Carbamoyl-1,3-dihydro-2-benzofuran-1-yl)ethyl methanesulfonate
• 英文别名: 2-(5-carbamoyl-1,3-dihydro-2-benzofuran-1-yl)ethyl methanesulfonate
• CAS: 556108-35-1
• 化学式: C₁₂H₁₅NO₅S
• 分子量: 285.321
• InChiKey: SNCNVBJIEPWBMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(5-Carbamoyl-1,3-dihydro-2-benzofuran-1-yl)ethyl methanesulfonate 、 1-(6-fluoronaphthalen-1-yl)-3-(R)-methylpiperazine 在 potassium carbonate 作用下， 以 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：

  tert-butyl-[2-(5-chloro-1,3-dihydro-2-benzofuran-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 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(5-Carbamoyl-1,3-dihydro-2-benzofuran-1-yl)ethyl methanesulfonate
  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

• Isochroman compounds for treatment of cns disorders
  申请人：Agejas-Chicharro Javier

  公开号：US20050014750A1

  公开（公告）日：2005-01-20

  This invention relates to compounds of formula (I) where R1 to R12, —W—V—, —X—Y—, p and n have the values defined in claim 1, their preparation and use as pharmaceuticals.

  本发明涉及公式（I）的化合物，其中R1到R12，-W-V-，-X-Y-，p和n具有权利要求1中定义的值，它们的制备和用作药物。
• ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1458703A1

  公开（公告）日：2004-09-22
• US7335660B2
  申请人：——

  公开号：US7335660B2

  公开（公告）日：2008-02-26
• [EN] ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS<br/>[FR] COMPOSES ISOCHROMAN POUR LE TRAITEMENT DE TROUBLES DU SYSTEME NERVEUX
  申请人：LILLY CO ELI

  公开号：WO2003053948A1

  公开（公告）日：2003-07-03

  This invention relates to compounds of formula (I) where R1 to R12, -W-V-, -X-Y-, p and n have the values defined in claim 1, their preparation and use as pharmaceuticals.
• 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.