7-(2-Bromoethoxy)-2-(4-chlorophenyl)chromen-4-one | 1245609-70-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-(2-Bromoethoxy)-2-(4-chlorophenyl)chromen-4-one
• CAS: 1245609-70-4
• 化学式: C₁₇H₁₂BrClO₃
• 分子量: 379.637
• InChiKey: CPDDTSSLEFCRSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-甲基苯基)哌嗪 、 7-(2-Bromoethoxy)-2-(4-chlorophenyl)chromen-4-one 以 甲苯 为溶剂， 反应 48.0h， 以19.4%的产率得到2-(4-Chlorophenyl)-7-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]chromen-4-one
  参考文献：
  名称：

  Design, synthesis and biological evaluation of new arylpiperazine derivatives bearing a flavone moiety as α1-adrenoceptor antagonists

  摘要：

  Elaborate study on the three-dimensional model of alpha(1)-adrenoceptor (alpha(1)-AR) antagonists led to the development of a series of new arylpiperazine derivatives bearing a flavone nucleus as alpha(1)-AR antagonists. The in vitro activities were evaluated and compounds 1, 4, 10, 13 and 15 showed activities close to the reference compound (Prazosin). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.080
• 作为产物：
  描述：

  2',4'-bis(4-chlorobenzoyloxy)acetophenone 在 sodium acetate 、 potassium carbonate 、 溶剂黄146 作用下， 以 丙酮 为溶剂， 生成 7-(2-Bromoethoxy)-2-(4-chlorophenyl)chromen-4-one
  参考文献：
  名称：

  Design, synthesis and biological evaluation of new arylpiperazine derivatives bearing a flavone moiety as α1-adrenoceptor antagonists

  摘要：

  Elaborate study on the three-dimensional model of alpha(1)-adrenoceptor (alpha(1)-AR) antagonists led to the development of a series of new arylpiperazine derivatives bearing a flavone nucleus as alpha(1)-AR antagonists. The in vitro activities were evaluated and compounds 1, 4, 10, 13 and 15 showed activities close to the reference compound (Prazosin). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.080

文献信息

• Design, synthesis and biological evaluation of new arylpiperazine derivatives bearing a flavone moiety as α1-adrenoceptor antagonists
  作者：Jing Jin、Xiao-Bing Wang、Ling-Yi Kong

  DOI：10.1016/j.bmcl.2010.12.080

  日期：2011.2

  Elaborate study on the three-dimensional model of alpha(1)-adrenoceptor (alpha(1)-AR) antagonists led to the development of a series of new arylpiperazine derivatives bearing a flavone nucleus as alpha(1)-AR antagonists. The in vitro activities were evaluated and compounds 1, 4, 10, 13 and 15 showed activities close to the reference compound (Prazosin). (C) 2010 Elsevier Ltd. All rights reserved.