4-丁氧基苯胺盐酸盐(1:1) | 6927-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-丁氧基苯胺盐酸盐(1:1)
• 英文名称: 4-butyloxyphenylamine hydrochloride
• 英文别名: 4-butoxyaniline hydrochloride；4-butoxy-aniline; hydrochloride；4-Butoxy-anilin; Hydrochlorid；4-butoxyaniline;hydrochloride
• CAS: 6927-73-7
• 化学式: C₁₀H₁₅NO*ClH
• 分子量: 201.696
• InChiKey: QEXDMKJLOPOHBY-UHFFFAOYSA-N

物化性质

• 熔点：
  180-182 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  sodium 1-(4-nonyloxyphenyl)-3-oxoprop-1-en-1-olate 、 4-丁氧基苯胺盐酸盐(1:1) 以 乙醇 为溶剂， 反应 0.17h， 生成 (Z)-3-((4-butoxyphenyl)amino)-1-(4-(nonyloxy)phenyl)prop-2-en-1-one
  参考文献：
  名称：

  Liquid crystalline N-aryl-β-aminovinyl ketones and their complexes with lanthanides

  摘要：

  Liquid crystalline lanthanide complexes with N-aryl-substituted beta-aminovinyl ketones were synthesized for the first time. The complexes give rise to smectic A mesophase and are stable only in the solid state; in going to solution, they dissociate with formation of the initial ligand.

  DOI：

  10.1134/s1070363206070152
• 作为产物：
  描述：

  对乙酰氨基酚 在 盐酸 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 50.0h， 生成 4-丁氧基苯胺盐酸盐(1:1)
  参考文献：
  名称：

  Comparative structure-activity relationships of antifolate triazines inhibiting murine tumor cells sensitive and resistant to methotrexate

  摘要：

  The inhibitory effect of 108 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazines on murine L5178Y tumor cells, resistant and sensitive to methotrexate (MTX), has been studied. From the pI50 values, quantitative structure-activity relationships have been formulated which show that the lipophilic triazines are much more inhibitory against resistant cells than methotrexate or hydrophilic triazines. The results are compared with the behavior of other antifolate drugs that have been used in chemotherapy, as well as with eight antitumor drugs that are not antifolates. The acquired resistance of these cells toward hydrophilic antifolates may be attributed to the combined effect of an impaired active-transport system, a change in the conformation of dihydrofolate reductase in the resistant cells, and an amplified production of dihydrofolate reductase in the resistant cells.

  DOI：

  10.1021/jm00369a019