(2-Fluoroprop-2-en-1-yl)(methyl)amine | 1042171-05-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: (2-Fluoroprop-2-en-1-yl)(methyl)amine
• 英文别名: 2-fluoro-N-methylprop-2-en-1-amine
• CAS: 1042171-05-0
• 化学式: C₄H₈FN
• mdl: MFCD19220894
• 分子量: 89.1126
• InChiKey: UPZLKJCTFLCRJN-UHFFFAOYSA-N

物化性质

• 沸点：
  65.0±20.0 °C(Predicted)
• 密度：
  0.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-Fluoroprop-2-en-1-yl)(methyl)amine 、 以 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors

  摘要：

  A series of milnacipran analogs containing a heteroaromatic group were synthesized and studied as monoamine transporter inhibitors. Many compounds exhibited higher potency than milnacipran at NET and NET/SERT with no significant change in lipophilicity. For example, compound R-26f was about 10-fold more potent than milnacipran with IC(50) values of 8.7 and 26 nM at NET and SERT, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.045

文献信息

• Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors
  作者：Junko Tamiya、Brian Dyck、Mingzhu Zhang、Kasey Phan、Beth A. Fleck、Anna Aparicio、Florence Jovic、Joe A. Tran、Troy Vickers、Jonathan Grey、Alan C. Foster、Chen Chen

  DOI：10.1016/j.bmcl.2008.04.025

  日期：2008.6

  A series of milnacipran analogs were synthesized and studied as monoamine transporter inhibitors, and several potent compounds with moderate lipophilicity were identified from the 1S, 2R-isomers. Thus, 15l exhibited IC50 values of 1.7 nM at NET and 25 nM at SERT, which were, respectively, 20- and 13-fold more potent than 1S, 2R-milnacipran 1-II. (C) 2008 Elsevier Ltd. All rights reserved.