3-(dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-ol | 653573-73-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-ol
• CAS: 653573-73-0
• 化学式: C₈H₁₄N₂OS
• 分子量: 186.278
• InChiKey: KUWLAVISCWOGJL-UHFFFAOYSA-N

物化性质

• 沸点：
  293.2±30.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.13
• 重原子数：
  12.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  36.36
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-(dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-ol 在 sodium hydroxide 、 1,2-丙二醇 、 2,4-滴二甲胺盐 、 sodium hydride 作用下， 以 甲苯 为溶剂， 生成 Methyl-[3-(naphthalen-1-yloxy)-3-thiazol-2-yl-propyl]-amine
  参考文献：
  名称：

  Duloxetine (Cymbalta™), a dual inhibitor of serotonin and norepinephrine reuptake

  摘要：

  A series of naphthalenyloxy-arylpropylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. One member of this series, duloxetine (Cymbalta(TM)) has proven to be effective in clinical trials for the treatment of depression. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.079
• 作为产物：
  描述：

  3-dimethylamino-1-thiazol-2-yl-propan-1-one 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 3-(dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-ol
  参考文献：
  名称：

  Duloxetine (Cymbalta™), a dual inhibitor of serotonin and norepinephrine reuptake

  摘要：

  A series of naphthalenyloxy-arylpropylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. One member of this series, duloxetine (Cymbalta(TM)) has proven to be effective in clinical trials for the treatment of depression. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.079

文献信息

• Duloxetine (Cymbalta™), a dual inhibitor of serotonin and norepinephrine reuptake
  作者：F.P. Bymaster、E.E. Beedle、J. Findlay、P.T. Gallagher、J.H. Krushinski、S. Mitchell、D.W. Robertson、D.C. Thompson、L. Wallace、D.T. Wong

  DOI：10.1016/j.bmcl.2003.08.079

  日期：2003.12

  A series of naphthalenyloxy-arylpropylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. One member of this series, duloxetine (Cymbalta(TM)) has proven to be effective in clinical trials for the treatment of depression. (C) 2003 Elsevier Ltd. All rights reserved.