N'-[3-(4-fluorophenoxy)propyl]-N'-methylpropane-1,3-diamine | 188660-89-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N'-[3-(4-fluorophenoxy)propyl]-N'-methylpropane-1,3-diamine
• CAS: 188660-89-1
• 化学式: C₁₃H₂₁FN₂O
• 分子量: 240.321
• InChiKey: LYBPHTYXRFXJNI-UHFFFAOYSA-N

物化性质

• 沸点：
  343.8±27.0 °C(Predicted)
• 密度：
  1.055±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-[3-(4-fluorophenoxy)propyl]-N'-methylpropane-1,3-diamine 以 氯仿 为溶剂， 反应 9.0h， 生成 N-[3-[3-(4-fluorophenoxy)propyl-methylamino]propyl]-2-[[2-(2-sulfanylethylsulfanyl)acetyl]amino]acetamide
  参考文献：
  名称：

  A simple and efficient synthesis of a derivatized pseudotripeptide containing a methylene thioether isostere and its use for the design of bifunctional rhenium and technetium chelating agents

  摘要：

  A new approach to a pseudotripeptide based tetradentate chelating unit functionalizable with various bioactive groups has been developed. Using a one-pot reaction, a given omega-aminoalkyl compound has been converted to a methylene thioether peptide isostere by two consecutive ring opening reactions. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00083-x
• 作为产物：
  描述：

  1-(3-氯丙氧基)-4-氟苯 在 盐酸 、 甲酸 、 氯化亚砜 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 生成 N'-[3-(4-fluorophenoxy)propyl]-N'-methylpropane-1,3-diamine
  参考文献：
  名称：

  A simple and efficient synthesis of a derivatized pseudotripeptide containing a methylene thioether isostere and its use for the design of bifunctional rhenium and technetium chelating agents

  摘要：

  A new approach to a pseudotripeptide based tetradentate chelating unit functionalizable with various bioactive groups has been developed. Using a one-pot reaction, a given omega-aminoalkyl compound has been converted to a methylene thioether peptide isostere by two consecutive ring opening reactions. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00083-x

文献信息

• A simple and efficient synthesis of a derivatized pseudotripeptide containing a methylene thioether isostere and its use for the design of bifunctional rhenium and technetium chelating agents
  作者：Matthias Scheunemann、Bernd Johannsen

  DOI：10.1016/s0040-4039(97)00083-x

  日期：1997.2

  A new approach to a pseudotripeptide based tetradentate chelating unit functionalizable with various bioactive groups has been developed. Using a one-pot reaction, a given omega-aminoalkyl compound has been converted to a methylene thioether peptide isostere by two consecutive ring opening reactions. (C) 1997 Elsevier Science Ltd.