[(S)-6-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dimethyl-amine | 848409-29-0

• 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: [(S)-6-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dimethyl-amine
• 英文别名: (3S)-6-(2,6-dimethoxyphenyl)-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
• CAS: 848409-29-0
• 化学式: C₁₉H₂₃NO₃
• 分子量: 313.397
• InChiKey: OUGYXLGWHOMWRU-HNNXBMFYSA-N

物化性质

• 沸点：
  411.1±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(S)-6-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dimethyl-amine 在 氢溴酸 作用下， 生成 2-((S)-3-Dimethylamino-chroman-6-yl)-benzene-1,3-diol
  参考文献：
  名称：

  Novel 3-aminochromans as potential pharmacological tools for the serotonin 5-HT7 receptor

  摘要：

  The synthesis of novel C6-aryl substituted derivatives of 3-(dimethylamino)chroman is described. The novel derivatives display 5-HT7 receptor affinities that varies from nM to muM, indicating that this small set of derivatives constitute a novel and interesting starting point for further structure-serotonin 5-HT7 activity relationship (SAR) studies. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.013
• 作为产物：
  描述：

  (3S)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine 在 bis-triphenylphosphine-palladium(II) chloride 1,1'-双(二苯基膦)二茂铁 、 四(三苯基膦)钯 、 甲酸 、 氢溴酸 、 溴 、 sodium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 乙二醇二甲醚 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [(S)-6-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dimethyl-amine
  参考文献：
  名称：

  Novel 3-aminochromans as potential pharmacological tools for the serotonin 5-HT7 receptor

  摘要：

  The synthesis of novel C6-aryl substituted derivatives of 3-(dimethylamino)chroman is described. The novel derivatives display 5-HT7 receptor affinities that varies from nM to muM, indicating that this small set of derivatives constitute a novel and interesting starting point for further structure-serotonin 5-HT7 activity relationship (SAR) studies. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.013

文献信息

• Novel 3-aminochromans as potential pharmacological tools for the serotonin 5-HT7 receptor
  作者：Pär Holmberg、Lars Tedenborg、Susanne Rosqvist、Anette M. Johansson

  DOI：10.1016/j.bmcl.2004.11.013

  日期：2005.2

  The synthesis of novel C6-aryl substituted derivatives of 3-(dimethylamino)chroman is described. The novel derivatives display 5-HT7 receptor affinities that varies from nM to muM, indicating that this small set of derivatives constitute a novel and interesting starting point for further structure-serotonin 5-HT7 activity relationship (SAR) studies. (C) 2004 Elsevier Ltd. All rights reserved.