N1-(2-fluorophenyl)propane-1,3-diamine | 933717-52-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N1-(2-fluorophenyl)propane-1,3-diamine
• 英文别名: N'-(2-fluorophenyl)propane-1,3-diamine
• CAS: 933717-52-3
• 化学式: C₉H₁₃FN₂
• mdl: MFCD10029165
• 分子量: 168.214
• InChiKey: ALNRNQZBLBBDPF-UHFFFAOYSA-N

物化性质

• 沸点：
  282.8±25.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N1-(2-fluorophenyl)propane-1,3-diamine 、 对氟苯甲酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-fluoro-N-(3-((2-fluorophenyl)amino)propyl)benzamide
  参考文献：
  名称：

  N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1

  摘要：

  We report the synthesis and in vitro activity of a series of novel N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several compounds, including compound 8b, showed similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.132
• 作为产物：
  描述：

  1,2-二氟苯 、 1,3-丙二胺 在 N,N-二甲基丙烯基脲 作用下， 生成 N1-(2-fluorophenyl)propane-1,3-diamine
  参考文献：
  名称：

  N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1

  摘要：

  We report the synthesis and in vitro activity of a series of novel N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs. These analogs showed potent inhibitory activity against Kv1.3. Several compounds, including compound 8b, showed similar potency to the known Kv1.3 inhibitor PAP-1 when tested under the IonWorks patch clamp assay conditions. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.09.132

文献信息

• Synthesis of Selectively Mono-N-Arylated Aliphatic Diamines<i>via</i>Iridium-Catalyzed Amine Alkylation
  作者：Benoît Blank、Stefan Michlik、Rhett Kempe

  DOI：10.1002/adsc.200900548

  日期：2009.11

  A highly selective phosphorus/nitrogen (P,N) ligand-based iridium catalyst system efficiently catalyzes the reaction of arylamines with unprotected amino alcohols, yielding N-arylated aliphatic diamines in yields of up to 93%. The reaction can be performed with a wide variety of branched and linear amino alcohols in combination with various aminopyridines or substituted anilines.

  高度选择性的基于磷/氮（P，N）配体的铱催化剂体系可有效催化芳基胺与未保护的氨基醇的反应，从而以高达93％的产率生成N-芳基化脂肪族二胺。该反应可以用多种支​​链和直链氨基醇与各种氨基吡啶或取代的苯胺结合进行。