6-chloro-4-methyl-3-(2,2,2-trifluoroethoxy)pyridazine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-chloro-4-methyl-3-(2,2,2-trifluoroethoxy)pyridazine
• 英文别名: 6-Chloro-4-methyl-3-(2,2,2-trifluoroethoxy)pyridazine
• 化学式: C₇H₆ClF₃N₂O
• 分子量: 226.586
• InChiKey: QLQLSSIADMRRNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-chloro-4-methyl-3-(2,2,2-trifluoroethoxy)pyridazine 、 3-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)pyridazine 、 1,3-双(二苯基膦)丙烷 、 三乙胺 、 乙酸乙酯 在 醋酸钯 一氧化碳 、 水 、 Sodium sulfate-III 、 silica 、 ethyl acetate n-hexane 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~80.0 ℃ 、13.51 MPa 条件下， 反应 20.0h， 以to give 2.15 g of ethyl 5-methyl-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (54% yield, more polar product) as an off-white solid and 0.63 g of ethyl 4-methyl-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (16% yield, less polar product) as pale yellow oil的产率得到ethyl 5-methyl-6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
  参考文献：
  名称：

  PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS

  摘要：

  本发明涉及吡咯吡啶酮衍生物，其具有阻断电压门控钠通道（如TTX-S通道）的活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病方面非常有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及电压门控钠通道的疾病方面使用这些化合物和组合物。

  公开号：

  US20150094306A1
• 作为产物：
  描述：

  3,6-二氯-4-甲基哒嗪 、 2,2,2-三氟乙醇 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 2.0h， 生成 6-chloro-4-methyl-3-(2,2,2-trifluoroethoxy)pyridazine 、 3-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)pyridazine
  参考文献：
  名称：

  [EN] AMIDE DERIVATIVES AS TTX-S BLOCKERS
  [FR] DÉRIVÉS D'AMIDE COMME BLOQUEURS DE TTX-S

  摘要：

  本发明涉及酰胺衍生物，具有对电压门控钠通道（如TTX-S通道）的阻塞活性，可用于治疗或预防涉及电压门控钠通道的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物。

  公开号：

  WO2013161308A1

文献信息

• [EN] PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS DE PYRROLOPYRIDINONE EN TANT QUE BLOQUANTS DES TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2013161312A1

  公开（公告）日：2013-10-31

  The present invention relates to pyrrolopyridinone derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及吡咯并吡啶酮衍生物，这些衍生物对TTX-S型电压门控钠通道具有阻断作用，并且在治疗或预防涉及电压门控钠通道的疾病和障碍中具有用途。发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病中的使用。
• [EN] AMIDE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS D'AMIDE COMME BLOQUEURS DE TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2013161308A1

  公开（公告）日：2013-10-31

  The present invention relates to amide derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰胺衍生物，具有对电压门控钠通道（如TTX-S通道）的阻塞活性，可用于治疗或预防涉及电压门控钠通道的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及电压门控钠通道的疾病中使用这些化合物和组合物。
• AMIDE DERIVATIVES AS TTX-S BLOCKERS
  申请人：RaQualia Pharma Inc.

  公开号：US20150105393A1

  公开（公告）日：2015-04-16

  The present invention relates to amide derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及酰胺衍生物，其具有对电压门控钠通道（如TTX-S通道）的阻滞活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病时非常有用。 本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及电压门控钠通道的这些疾病中使用这些化合物和组合物的用途。
• PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS
  申请人：RaQualia Pharma Inc.

  公开号：US20150094306A1

  公开（公告）日：2015-04-02

  The present invention relates to pyrrolopyridinone derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及吡咯吡啶酮衍生物，其具有阻断电压门控钠通道（如TTX-S通道）的活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病方面非常有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及电压门控钠通道的疾病方面使用这些化合物和组合物。
• Pyrrolopyridinone derivatives as TTX-S blockers
  申请人：RaQualia Pharma Inc.

  公开号：US09187475B2

  公开（公告）日：2015-11-17

  The present invention relates to pyrrolopyridinone derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及一种具有阻断电压门控钠通道（TTX-S通道）活性的吡咯吡啶酮衍生物，其可用于治疗或预防涉及电压门控钠通道的疾病和疾病。本发明还涉及包含这些化合物的制药组合物以及在涉及电压门控钠通道的这些疾病的预防或治疗中使用这些化合物和组合物的用途。