(4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanol | 158257-64-8

• 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: (4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanol
• CAS: 158257-64-8
• 化学式: C₁₈H₁₇ClO₂
• 分子量: 300.785
• InChiKey: HLJSXPXQCRONCM-UHFFFAOYSA-N

物化性质

• 沸点：
  449.5±45.0 °C(predicted)
• 密度：
  1.209±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)methanol 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 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
• 作为产物：
  描述：

  6-formyl-2,2-dimethyl-2H-chromene 、 4-氯苯基溴化镁 以 乙醚 为溶剂， 反应 15.0h， 生成 (4-Chlorophenyl)-(2,2-dimethylchromen-6-yl)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

文献信息

• Guanabenz-related amidinohydrazones: potent non-azole inhibitors of aldosterone biosynthesis
  作者：RM Soll、PJ Dollings、RD Mitchell、DA Hafner

  DOI：10.1016/0223-5234(94)90040-x

  日期：1994.1

  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.