(4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanone | 158257-65-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanone
• CAS: 158257-65-9
• 化学式: C₁₈H₁₅ClO₂
• 分子量: 298.769
• InChiKey: WBMWZAUTXYUDPG-UHFFFAOYSA-N

物化性质

• 沸点：
  445.3±45.0 °C(predicted)
• 密度：
  1.199±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  氨基胍硝酸盐 、 (4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanone 在 硝酸 作用下， 以 乙醇 为溶剂， 以898 mg的产率得到2-<(4-chlorophenyl)(2,2-dimethyl-2H-1-benzopyran-6-yl)methylene>hydrozinecarboximidamide
  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：

  4-氯苯基溴化镁 在 pyridinium chlorochromate 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 (4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanone
  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