(2,2-Dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanol | 158257-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2,2-Dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanol
• CAS: 158257-78-4
• 化学式: C₂₄H₂₃NO₃
• 分子量: 373.452
• InChiKey: OTXNCWSRXRAJHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  51.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,2-Dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanol 在 manganese(IV) oxide 、 硝酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 40.0h， 生成 2-<(2,2-dimethyl-2H-1-benzopyran-6-yl)<3-(3-pyridinylmethoxy)phenyl>methylene>hydrazinecarboximidamide
  参考文献：
  名称：

  Guanabenz-related amidinohydrazones: potent non-azole inhibitors of aldosterone biosynthesis

  摘要：

  A new series of potent, guanabenz-derived, non-steroidal aldosterone biosynthesis inhibitors are presented. Salient features of the structure-activity relationship indicate the requirement of a hydrophobic core, presence of a hydrophilic (or basic) peripheral appendage, and, in some cases, profound dependence on hydrazone stereochemistry. The most potent compound of the series, 29, was 2 orders of magnitude more potent than guanabenz as an aldosterone biosynthesis inhibitor.

  DOI：

  10.1016/0223-5234(94)90040-x
• 作为产物：
  描述：

  3-吡啶甲醇 在 叔丁基锂 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 24.25h， 生成 (2,2-Dimethylchromen-6-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanol
  参考文献：
  名称：

  Guanabenz-related amidinohydrazones: potent non-azole inhibitors of aldosterone biosynthesis

  摘要：

  A new series of potent, guanabenz-derived, non-steroidal aldosterone biosynthesis inhibitors are presented. Salient features of the structure-activity relationship indicate the requirement of a hydrophobic core, presence of a hydrophilic (or basic) peripheral appendage, and, in some cases, profound dependence on hydrazone stereochemistry. The most potent compound of the series, 29, was 2 orders of magnitude more potent than guanabenz as an aldosterone biosynthesis inhibitor.

  DOI：

  10.1016/0223-5234(94)90040-x