2-Bromo-1-(4-hydroxyphenyl)-1-hexanone | 1245904-83-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Bromo-1-(4-hydroxyphenyl)-1-hexanone
• 英文别名: 2-bromo-1-(4-hydroxyphenyl)hexan-1-one
• CAS: 1245904-83-9
• 化学式: C₁₂H₁₅BrO₂
• 分子量: 271.154
• InChiKey: UVKUVSAURPDITJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Bromo-1-(4-hydroxyphenyl)-1-hexanone 、 alkaline earth salt of/the/ methylsulfuric acid 在 CH₃COONH₂ supported on Al₂O₃ 作用下， 以 甲苯 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis of a series of novel 2,4,5-trisubstituted selenazole compounds as potential PLTP inhibitors

  摘要：

  Based on a homology-modeled structure of PLTP and characteristic structural features of reported cholesteryl ester transfer protein (CETP) inhibitors, we designed and synthesized a novel series of 2,4,5-trisubstituted selenazole compounds. Biological evaluation reveals that compounds 12 and 17 exhibit favorable PLTP activity, and their IC(50)s are 8 mu M and 10 mu M, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.017
• 作为产物：
  描述：

  4'-羟基苯己酮 在 aluminum (III) chloride 、 溴 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-Bromo-1-(4-hydroxyphenyl)-1-hexanone
  参考文献：
  名称：

  Synthesis of a series of novel 2,4,5-trisubstituted selenazole compounds as potential PLTP inhibitors

  摘要：

  Based on a homology-modeled structure of PLTP and characteristic structural features of reported cholesteryl ester transfer protein (CETP) inhibitors, we designed and synthesized a novel series of 2,4,5-trisubstituted selenazole compounds. Biological evaluation reveals that compounds 12 and 17 exhibit favorable PLTP activity, and their IC(50)s are 8 mu M and 10 mu M, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.017