4-(2-Amino-1-hydroxy-aethyl)-benzoesaeure-methylester | 91012-64-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-Amino-1-hydroxy-aethyl)-benzoesaeure-methylester
• 英文别名: 4-(2-amino-1-hydroxy-ethyl)-benzoic acid methyl ester；Methyl 4-(2-amino-1-hydroxyethyl)benzoate
• CAS: 91012-64-5
• 化学式: C₁₀H₁₃NO₃
• mdl: MFCD17218364
• 分子量: 195.218
• InChiKey: LGVRTKBGOMGDTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-Amino-1-hydroxy-aethyl)-benzoesaeure-methylester 在 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Lewis acid mediated intramolecular C–O bond formation of alkanol-epoxide leading to substituted morpholine and 1,4-oxazepane derivatives: total synthesis of (±)–Viloxazine

  摘要：

  Substituted morpholines have been efficiently synthesised in good yields from nitrogen tethered alkanolepoxide mediated by boron trifluoride etherate. The methodology has been used for the total synthesis of (+/-)-viloxazine. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.12.015
• 作为产物：
  描述：

  4-(1-hydroxy-2-nitroethyl)benzoic acid methyl ester 在 甲酸铵 、 锌 作用下， 以 甲醇 为溶剂， 生成 4-(2-Amino-1-hydroxy-aethyl)-benzoesaeure-methylester
  参考文献：
  名称：

  Lewis acid mediated intramolecular C–O bond formation of alkanol-epoxide leading to substituted morpholine and 1,4-oxazepane derivatives: total synthesis of (±)–Viloxazine

  摘要：

  Substituted morpholines have been efficiently synthesised in good yields from nitrogen tethered alkanolepoxide mediated by boron trifluoride etherate. The methodology has been used for the total synthesis of (+/-)-viloxazine. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.12.015

文献信息

• Substituted Tricyclic Heterocycles and their Uses
  申请人：Cywin Lawrence Charles

  公开号：US20080008720A1

  公开（公告）日：2008-01-10

  Disclosed are substituted tricyclic heterocycle compounds of the formulas (I), (II) and (III) shown below, wherein R 1 , R 2 , R 3 and R 4 are described herein, which are active as anti-inflammatory agents. Also disclosed are methods of using and making such compounds.

  本发明涉及下式（I），（II）和（III）所示的取代三环杂环化合物，其中R1，R2，R3和R4如下所述，其作为抗炎剂具有活性。还公开了使用和制备这种化合物的方法。
• 2-amino-5-Aryl-2-oxazolines. Potent New Anorectic Agents
  作者：George I. Poos、John R. Carson、Janet D. Rosenau、Adolph P. Roszkowski、Nancy M. Kelley、Janet McGowin

  DOI：10.1021/jm00339a011

  日期：1963.5
• US7291733B2
  申请人：——

  公开号：US7291733B2

  公开（公告）日：2007-11-06
• Lewis acid mediated intramolecular C–O bond formation of alkanol-epoxide leading to substituted morpholine and 1,4-oxazepane derivatives: total synthesis of (±)–Viloxazine
  作者：Priya Ghosh、Manash J. Deka、Anil K. Saikia

  DOI：10.1016/j.tet.2015.12.015

  日期：2016.2

  Substituted morpholines have been efficiently synthesised in good yields from nitrogen tethered alkanolepoxide mediated by boron trifluoride etherate. The methodology has been used for the total synthesis of (+/-)-viloxazine. (C) 2015 Elsevier Ltd. All rights reserved.