1,4-Bis-(4-ethinyl-phenoxy)-butan | 95814-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,4-Bis-(4-ethinyl-phenoxy)-butan
• 英文别名: 1-ethynyl-4-[4-(4-ethynylphenoxy)butoxy]benzene
• CAS: 95814-15-6
• 化学式: C₂₀H₁₈O₂
• 分子量: 290.362
• InChiKey: CWFFWQCBNMTDGY-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119 °C
• 沸点：
  447.3±40.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,4-Bis-(4-ethinyl-phenoxy)-butan 在 copper(l) iodide 、 四(三苯基膦)钯 triethylamine trihydrofluoride 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  SYNTHESIS AND EVALUATION OF ANTI-HSV ACTIVITY OF NEW 5-ALKYNYL-2′-DEOXYURIDINES

  摘要：

  Eight 5-alkynyl-2'deoxyuridines containing different bulky substituents have been prepared and tested against HSV-1 in Vero cells. The compounds show positive antiviral activity. There is no obvious correlation between activity and substituent size. The nature of the linker between uracil and a substituent appears to be more important for antiviral properties: nucleosides containing arylethynyl groups show higher activity.

  DOI：

  10.1081/ncn-200059280
• 作为产物：
  描述：

  1,1'-((butane-1,3-diylbis(oxy))bis(4,1-phenylene))diethanone 生成 1,4-Bis-(4-ethinyl-phenoxy)-butan
  参考文献：
  名称：

  Oligomers and Polymers Containing Triple Bonds. III. Derivatives of α,ω-Bis(4-ethynylphenoxy)alkane

  摘要：

  DOI：

  10.1246/bcsj.37.919

文献信息

• Synthesis of acetylene-terminated .alpha.,.omega.-bisphenoxy alkanes
  作者：Stephan A. Babirad、William A. Feld

  DOI：10.1021/je00055a040

  日期：1989.1
• BABIRAD, STEPHEN A.;FELD, WILLIAM A., J. CHEM. AND ENG. DATA, 34,(1989) N, C. 140-141
  作者：BABIRAD, STEPHEN A.、FELD, WILLIAM A.

  DOI：——

  日期：——
• Oligomers and Polymers Containing Triple Bonds. III. Derivatives of α,ω-Bis(4-ethynylphenoxy)alkane
  作者：Hisaya Tani、Ken Murayama、Fumio Toda

  DOI：10.1246/bcsj.37.919

  日期：1964.7
• SYNTHESIS AND EVALUATION OF ANTI-HSV ACTIVITY OF NEW 5-ALKYNYL-2′-DEOXYURIDINES
  作者：A. A. Pchelintseva、M. V. Skorobogatyj、A. L. Petrunina、V. L. Andronova、G. A. Galegov、I. V. Astakhova、A. V. Ustinov、A. D. Malakhov、Vladimir A. Korshun

  DOI：10.1081/ncn-200059280

  日期：2005.4.1

  Eight 5-alkynyl-2'deoxyuridines containing different bulky substituents have been prepared and tested against HSV-1 in Vero cells. The compounds show positive antiviral activity. There is no obvious correlation between activity and substituent size. The nature of the linker between uracil and a substituent appears to be more important for antiviral properties: nucleosides containing arylethynyl groups show higher activity.