2-(4-methoxy-N-[2-(4-methoxyphenyl)-2-oxoethyl]anilino)-1-(4-methoxyphenyl)ethanone | 333306-69-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-methoxy-N-[2-(4-methoxyphenyl)-2-oxoethyl]anilino)-1-(4-methoxyphenyl)ethanone
• CAS: 333306-69-7
• 化学式: C₂₅H₂₅NO₅
• 分子量: 419.477
• InChiKey: CZUAWLKXLQEFFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-methoxy-N-[2-(4-methoxyphenyl)-2-oxoethyl]anilino)-1-(4-methoxyphenyl)ethanone 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 以28%的产率得到
  参考文献：
  名称：

  FACILE SYNTHESIS AND ESTROGENIC ACTIVITY OF ARYLPYRROLE-BASED BISPHENOL DERIVATIVES

  摘要：

  Novel estrogen candidates 6a and 6b incorporating arylpyrrole bisphenol structure were synthesized in only three steps from commercially available materials by means of McMurry coupling and an unexpected BBr3-mediated aromatization. These compounds showed ER alpha-binding affinity in competitive binding assay and estrogenic activity in MCF-7 cell proliferation assay.

  DOI：

  10.3987/com-12-s(n)56
• 作为产物：
  描述：

  甲氧苯胺 、 alpha-溴-4-甲氧基苯乙酮 在 sodium carbonate decahydrate 作用下， 以 乙醇 为溶剂， 以100%的产率得到2-(4-methoxy-N-[2-(4-methoxyphenyl)-2-oxoethyl]anilino)-1-(4-methoxyphenyl)ethanone
  参考文献：
  名称：

  FACILE SYNTHESIS AND ESTROGENIC ACTIVITY OF ARYLPYRROLE-BASED BISPHENOL DERIVATIVES

  摘要：

  Novel estrogen candidates 6a and 6b incorporating arylpyrrole bisphenol structure were synthesized in only three steps from commercially available materials by means of McMurry coupling and an unexpected BBr3-mediated aromatization. These compounds showed ER alpha-binding affinity in competitive binding assay and estrogenic activity in MCF-7 cell proliferation assay.

  DOI：

  10.3987/com-12-s(n)56

文献信息

• FACILE SYNTHESIS AND ESTROGENIC ACTIVITY OF ARYLPYRROLE-BASED BISPHENOL DERIVATIVES
  作者：Yasuyuki Endo、Kiminori Ohta、Fumi Taguchi

  DOI：10.3987/com-12-s(n)56

  日期：——

  Novel estrogen candidates 6a and 6b incorporating arylpyrrole bisphenol structure were synthesized in only three steps from commercially available materials by means of McMurry coupling and an unexpected BBr3-mediated aromatization. These compounds showed ER alpha-binding affinity in competitive binding assay and estrogenic activity in MCF-7 cell proliferation assay.