3-Chloro-6-(piperidin-4-yl)pyridazine | 784139-31-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-Chloro-6-(piperidin-4-yl)pyridazine
• 英文别名: 3-chloro-6-piperidin-4-ylpyridazine
• CAS: 784139-31-7
• 化学式: C₉H₁₂ClN₃
• 分子量: 197.667
• InChiKey: OLERFBRHPXQUNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-bis(trifluoromethyl)benzyl 3-oxo-1-isopropylcyclopentane-carboxamide 、 3-Chloro-6-(piperidin-4-yl)pyridazine 在 4 A molecular sieve 、 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-(6-chloropyridazin-3-yl)piperidin-1-yl)-1-isopropylcyclopentanecarboxamide 、
  参考文献：
  名称：

  Potent heteroarylpiperidine and carboxyphenylpiperidine 1-alkyl-cyclopentane carboxamide CCR2 antagonists

  摘要：

  This report describes replacement of the 4-(4-fluorophenyl)piperidine moiety in our CCR2 antagonists with 4-heteroaryl piperidine and 4-(carboxyphenyl)-piperidine subunits. Some of the resulting analogs retained potency in our CCR2 binding assay and had improved selectivity versus the I-Kr channel; poor selectivity against I-Kr had been a liability of earlier analogs in this series. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.029
• 作为产物：
  描述：

  tert-butyl 4-(6-chloropyridazin-3-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 3-Chloro-6-(piperidin-4-yl)pyridazine
  参考文献：
  名称：

  Potent heteroarylpiperidine and carboxyphenylpiperidine 1-alkyl-cyclopentane carboxamide CCR2 antagonists

  摘要：

  This report describes replacement of the 4-(4-fluorophenyl)piperidine moiety in our CCR2 antagonists with 4-heteroaryl piperidine and 4-(carboxyphenyl)-piperidine subunits. Some of the resulting analogs retained potency in our CCR2 binding assay and had improved selectivity versus the I-Kr channel; poor selectivity against I-Kr had been a liability of earlier analogs in this series. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.029

文献信息

• US7491737B2
  申请人：——

  公开号：US7491737B2

  公开（公告）日：2009-02-17