[3-([3,3']Bithiophenyl-5-ylmethoxy)-benzyl]-ethyl-prop-2-ynyl-amine | 146349-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: [3-([3,3']Bithiophenyl-5-ylmethoxy)-benzyl]-ethyl-prop-2-ynyl-amine
• CAS: 146349-05-5
• 化学式: C₂₁H₂₁NOS₂
• 分子量: 367.536
• InChiKey: RDKGPVIRTLFETE-UHFFFAOYSA-N

物化性质

• 沸点：
  459.4±40.0 °C(predicted)
• 密度：
  1.192±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.51
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-叠氮基-4-碘苯 、 [3-([3,3']Bithiophenyl-5-ylmethoxy)-benzyl]-ethyl-prop-2-ynyl-amine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二乙胺 作用下， 以 四氢呋喃 为溶剂， 以36%的产率得到3-(4-azidophenyl)-N-ethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine
  参考文献：
  名称：

  Design and synthesis of new potential photoaffinity labels for mammalian squalene epoxidase

  摘要：

  Aromatic azides derived from known inhibitors have been prepared as potential photoaffinity labels for mammalian squalene epoxidase, Three of them (compounds 5b, 5c and 6) were found to inhibit pig liver SE with submicromolar affinities and to block cholesterol biosynthesis in HepG2 cells. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00175-3
• 作为产物：
  描述：

  3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]benzaldehyde 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 [3-([3,3']Bithiophenyl-5-ylmethoxy)-benzyl]-ethyl-prop-2-ynyl-amine
  参考文献：
  名称：

  Design and synthesis of new potential photoaffinity labels for mammalian squalene epoxidase

  摘要：

  Aromatic azides derived from known inhibitors have been prepared as potential photoaffinity labels for mammalian squalene epoxidase, Three of them (compounds 5b, 5c and 6) were found to inhibit pig liver SE with submicromolar affinities and to block cholesterol biosynthesis in HepG2 cells. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00175-3