4,4'-(Isopentylazanediyl)diphenol | 1075742-48-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4'-(Isopentylazanediyl)diphenol
• 英文别名: 4-[4-hydroxy-N-(3-methylbutyl)anilino]phenol
• CAS: 1075742-48-1
• 化学式: C₁₇H₂₁NO₂
• 分子量: 271.359
• InChiKey: NJUAOIGKNOUCAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-methoxy-N-(4-methoxyphenyl)-N-(3-methylbutyl)aniline 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 4,4'-(Isopentylazanediyl)diphenol
  参考文献：
  名称：

  Promising core structure for nuclear receptor ligands: Design and synthesis of novel estrogen receptor ligands based on diphenylamine skeleton

  摘要：

  Novel diphenylamine-type estrogen receptor ligands were designed and synthesized, and their biological activities were evaluated by means of binding assays for estrogen receptor-alpha and -beta and cell proliferation assay using MCF-7 cells. Compounds 4f, 11b, 12c, and 8 showed moderate estrogenic activities. We propose that the diphenylamine skeleton may be a privileged structure for various nuclear receptor ligands, including RAR, RXR, and AR ligands. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.004