(1R)-3-amino-1-(3,4-dichlorophenyl)propan-1-ol | 1247075-55-3

• 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: (1R)-3-amino-1-(3,4-dichlorophenyl)propan-1-ol
• CAS: 1247075-55-3
• 化学式: C₉H₁₁Cl₂NO
• 分子量: 220.098
• InChiKey: HXWFGPOOKYZXBX-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 (1R)-3-amino-1-(3,4-dichlorophenyl)propan-1-ol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以77%的产率得到
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors

  摘要：

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.021
• 作为产物：
  描述：

  (R)-2-cyano-1-(3,4-dichlorophenyl)ethyl acetate 在 potassium carbonate 、 borane-dimethyl sulfide complex 作用下， 以 甲醇 、 水 、 四氢呋喃 为溶剂， 反应 12.0h， 以70%的产率得到(1R)-3-amino-1-(3,4-dichlorophenyl)propan-1-ol
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors

  摘要：

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.021