6-(4-bromophenyl)-2-methylpyridazin-3(2H)-one | 941972-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-(4-bromophenyl)-2-methylpyridazin-3(2H)-one
• 英文别名: 6-(4-bromophenyl)-2-methylpyridazin-3-one
• CAS: 941972-59-4
• 化学式: C₁₁H₉BrN₂O
• 分子量: 265.109
• InChiKey: GNBRHWQFVMPJPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-异丙基哌嗪 、 6-(4-bromophenyl)-2-methylpyridazin-3(2H)-one 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 2-Methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
  参考文献：
  名称：

  Amine-constrained pyridazinone histamine H3 receptor antagonists

  摘要：

  Pyridazinone 1 was recently reported as a potent H3R antagonist with good drug-like properties and in vivo activity. A series of constrained amine analogs of 1 was synthesized to identify compounds with improved pharmacokinetic profiles. From these efforts, a new class of (S)-2-pyrrolidin-1-ylmethyl-1-pyrrolidinyl amides was identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.094
• 作为产物：
  描述：

  3-(4-溴苯甲酰)丙酸 在 selenium(IV) oxide 作用下， 以 溶剂黄146 、 异丙醇 为溶剂， 反应 31.0h， 生成 6-(4-bromophenyl)-2-methylpyridazin-3(2H)-one
  参考文献：
  名称：

  Amine-constrained pyridazinone histamine H3 receptor antagonists

  摘要：

  Pyridazinone 1 was recently reported as a potent H3R antagonist with good drug-like properties and in vivo activity. A series of constrained amine analogs of 1 was synthesized to identify compounds with improved pharmacokinetic profiles. From these efforts, a new class of (S)-2-pyrrolidin-1-ylmethyl-1-pyrrolidinyl amides was identified. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.094