N,N-dimethyl-1-(2-phenoxyphenyl)methanamine | 844882-78-6

• 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: N,N-dimethyl-1-(2-phenoxyphenyl)methanamine
• CAS: 844882-78-6
• 化学式: C₁₅H₁₇NO
• 分子量: 227.306
• InChiKey: BBLALPDUHCRAKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-苯氧基苯甲醛 、 二甲胺 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 N,N-dimethyl-1-(2-phenoxyphenyl)methanamine
  参考文献：
  名称：

  1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity

  摘要：

  A novel series of 1-(2-phenoxyphenyl)methanamines is disclosed, which possess selective dual 5-HT and NA reuptake pharmacology. Analogues with good human in vitro metabolic stability, hERG selectivity and passive membrane permeability were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.080

文献信息

• Synthesis of Biaryl Ethers by the Copper-Catalyzed Chan–Evans–Lam Etherification from Benzylic Amine Boronate Esters
  作者：Justin S. Marcum、Kathryn A. McGarry、Carl J. Ferber、Timothy B. Clark

  DOI：10.1021/acs.joc.6b01254

  日期：2016.9.2

  benzylic amines with phenols has been achieved to provide biaryl ethers that are prevalent in biologically active compounds. A variety of substitution patterns on the aryl boronate ester and the phenol are tolerated under the reaction conditions, providing moderate to high yields. A competition reaction between phenol and aniline revealed condition-dependent selectivity in which the phenol could be highly

  已经实现了邻苯甲酰化苄基胺与苯酚的铜催化醚化，以提供在生物活性化合物中普遍存在的联芳醚。在反应条件下，可以耐受芳基硼酸酯和苯酚上的多种取代方式，从而提供中等至高收率。苯酚和苯胺之间的竞争反应显示了条件依赖性的选择性，其中苯酚可能比苯胺更受青睐。
• 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity
  作者：Gavin A. Whitlock、Julian Blagg、Paul V. Fish

  DOI：10.1016/j.bmcl.2007.11.080

  日期：2008.1

  A novel series of 1-(2-phenoxyphenyl)methanamines is disclosed, which possess selective dual 5-HT and NA reuptake pharmacology. Analogues with good human in vitro metabolic stability, hERG selectivity and passive membrane permeability were identified. (c) 2007 Elsevier Ltd. All rights reserved.