2-ethyl-4,5,6-trichloro-3(2H)pyridazinone | 114878-39-6

• 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: 2-ethyl-4,5,6-trichloro-3(2H)pyridazinone
• 英文别名: 4,5,6-trichloro-2-ethylpyridazin-3-one
• CAS: 114878-39-6
• 化学式: C₆H₅Cl₃N₂O
• 分子量: 227.477
• InChiKey: UFQXKYPZRLJRED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  2-ethyl-4,5,6-trichloro-3(2H)pyridazinone 、 对叔丁基苄硫醇 生成 5-[(4-Tert-butylphenyl)methylsulfanyl]-4,6-dichloro-2-ethylpyridazin-3-one
  参考文献：
  名称：

  HYMATA, TATSUO;NAKAZDIMA, YASUYUKI;KAVAMURA, YASUO;OGURA, TOMOYUKI

  摘要：

  DOI：

文献信息

• 3(2H)pyridazinone, and antagonistic agent against SRS-A containing it
  申请人：Nissan Chemical Industries Ltd.

  公开号：US04978665A1

  公开（公告）日：1990-12-18

  A 3(2H)pyridazinone of the formula: ##STR1## wherein R.sub.1 is hydrogen, 2-propenyl or straight chained or branched C.sub.1 -C.sub.4 alkyl; R.sub.2 is hydrogen or C.sub.1 -C.sub.3 alkyl; X is chlorine or bromine; Y is hydrogen, nitro, -NHR.sub.3 wherein R.sub.3 is hydrogen or straight chained or branched C.sub.1 -C.sub.4 alkyl, -AR.sub.4 wherein A is oxygen or sulfur and R.sub.4 is hydrogen, straight chained or branched C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.6 alkenyl having one double bond, C.sub.3 -C.sub.6 alkynyl having one triple bond, phenyl or ##STR2## wherein R.sub.5 is hydrogen or C.sub.1 -C.sub.4 alkyl, or halogen; Z.sub.1 is hydrogen, C.sub.1 -C.sub.4 alkyl, -OR.sub.6 wherein R.sub.6 is hydrogen, straight chained or branched C.sub.1 -C.sub.8 alkyl or ##STR3## wherein n is an integer of from 1 to 4, -N(R.sub.7).sub.2 wherein R.sub.7 is C.sub.1 -C.sub.4 alkyl, or halogen; Z.sub.2 is C.sub.1 -C.sub.4 alkyl, -OR.sub.6 wherein R.sub.6 is as defined above, -N(R.sub.7).sub.2 wherein R.sub.7 is as defined above, or halogen, provided that when R.sub.1 is straight chained or branched C.sub.2 -C.sub.4 alkyl, Y is not hydrogen and when R.sub.1 is hydrogen, methyl or 2-propenyl, Y and R.sub.2 are not simultaneously hydrogen, or a pharmaceutically acceptable salt thereof.

  一种化学式为##STR1##的3（2H）吡啶酮，其中R.sub.1为氢，2-丙烯基或直链或支链C.sub.1-C.sub.4烷基; R.sub.2为氢或C.sub.1-C.sub.3烷基; X为氯或溴; Y为氢，硝基，-NHR.sub.3，其中R.sub.3为氢或直链或支链C.sub.1-C.sub.4烷基，-AR.sub.4，其中A为氧或硫，R.sub.4为氢，直链或支链C.sub.1-C.sub.6烷基，C.sub.3-C.sub.6烯基，具有一个双键，C.sub.3-C.sub.6炔基，具有一个三键，苯基或##STR2##，其中R.sub.5为氢或C.sub.1-C.sub.4烷基或卤素; Z.sub.1为氢，C.sub.1-C.sub.4烷基，-OR.sub.6，其中R.sub.6为氢，直链或支链C.sub.1-C.sub.8烷基或##STR3##，其中n为1到4的整数，-N（R.sub.7）.sub.2，其中R.sub.7为C.sub.1-C.sub.4烷基或卤素; Z.sub.2为C.sub.1-C.sub.4烷基，-OR.sub.6，其中R.sub.6如上所述，-N（R.sub.7）.sub.2，其中R.sub.7如上所述或卤素，但当R.sub.1为直链或支链C.sub.2-C.sub.4烷基时，Y不为氢，当R.sub.1为氢，甲基或2-丙烯基时，Y和R.sub.2不同时为氢，或其药学上可接受的盐。
• 3(2H)pyridazinone, process for its preparation and antagonistic agent against SRS-A containing it
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0275997B1

  公开（公告）日：1992-12-23
• US4978665A
  申请人：——

  公开号：US4978665A

  公开（公告）日：1990-12-18