6-chloro-7,8,9,10-tetrahydro-1,2,4-triazolo[3,4-a]phthalazine | 66978-72-1

• 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-chloro-7,8,9,10-tetrahydro-1,2,4-triazolo[3,4-a]phthalazine
• 英文别名: 6-chloro-7,8,9,10-tetrahydro-s-triazolo<3,4-a>phthalazine；6-chloro-7,8,9,10-tetrahydro(1,2,4)triazolo[3,4-a]phthalazine；6-Chloro-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
• CAS: 66978-72-1
• 化学式: C₉H₉ClN₄
• 分子量: 208.65
• InChiKey: WZHRPLMAAOHVAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-chloro-7,8,9,10-tetrahydro-1,2,4-triazolo[3,4-a]phthalazine 在 palladium on activated charcoal 氢气 作用下， 以 ammonium hydroxide 、 乙醇 为溶剂， 反应 2.0h， 以83%的产率得到7,8,9,10-tetrahydro-s-triazolo<3,4-a>phthalazine
  参考文献：
  名称：

  Photoalkylation of s-triazolo[4,3-b]pyridazine with alcohols and glycols

  摘要：

  DOI：

  10.1021/jo01300a011
• 作为产物：
  描述：

  1,4-二氯-5,6,7,8-四氢二氮杂萘 在 肼 作用下， 以 甲苯 为溶剂， 反应 22.0h， 生成 6-chloro-7,8,9,10-tetrahydro-1,2,4-triazolo[3,4-a]phthalazine
  参考文献：
  名称：

  Photoalkylation of s-triazolo[4,3-b]pyridazine with alcohols and glycols

  摘要：

  DOI：

  10.1021/jo01300a011

文献信息

• 6-[(Cyclic amino)alkylamino]-tetrahydrotriazolo[3,4-a]phthalazines
  申请人：The Dow Chemical Company

  公开号：US04487930A1

  公开（公告）日：1984-12-11

  6-[(Cyclic amino)alkylamino]-7,8,9,10-tetrahydro-1,2,4-triazolo[3,4-a]phthalazines are novel compounds prepared by the reaction of a 6-halo-7,8,9,10-tetrahydro-1,2,4-triazolo[3,4-a]phthalazine with an appropriate (cyclic amino)alkylamine. The compounds are useful as bronchodilators.

  6-[(环氨基)烷基氨基]-7,8,9,10-四氢-1,2,4-三唑并[3,4-a]菲噻嗪是通过6-卤代-7,8,9,10-四氢-1,2,4-三唑并[3,4-a]菲噻嗪与适当的(环氨基)烷基胺反应制备的新化合物。这些化合物可用作支气管扩张剂。
• 3,6,7,8-Substituted-s-triazolo[4,3-b]pyridazines as bronchodilators
  申请人：The Dow Chemical Company

  公开号：US04526890A1

  公开（公告）日：1985-07-02

  3,6,7,8-Substituted-s-triazolo-pyridazine compounds such as 7,8-dimethyl-6-morpholino-3-methyl-s-triazolo[4,3-b]pyridazine or 7,8-dimethyl-6-(1-pyrrolidinyl)-3-(isopropyl)-s-triazolo-[4,3-b]pyridazine are prepared by the reaction of a carboxylic acid with a substituted 3-hydrazino-6-halo-pyridazine followed by the reaction of the resulting 6-halotriazolopyridazine with a corresponding base. The compounds have pharmacological activity as bronchodilators.

  3,6,7,8-取代-s-三唑吡啶化合物，如7,8-二甲基-6-吗啉基-3-甲基-s-三唑[4,3-b]吡啶或7,8-二甲基-6-(1-吡咯烷基)-3-(异丙基)-s-三唑-[4,3-b]吡啶，通过羧酸与取代的3-叠氮基-6-卤代吡啶的反应制备，然后通过所得的6-卤代三唑吡啶与相应的碱的反应制备。这些化合物具有支气管扩张剂的药理活性。
• 3,6,7,8-Substituted-s-triazolo(4,3-b)-pyridazines, their preparation and compositions comprising them
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0029130A1

  公开（公告）日：1981-05-27

  3,6,7,8-substituted-s-triazolo-pyridazine compounds of the formula wherein R3 represents hydrogen or loweralkyl, R6 represents amino, loweralkylamino, diloweralkylamino, heterocyclic amino or lower alkyl substituted heterocyclic amino, wherein the heterocyclic moiety forms a 5, 6 or 7 membered ring, having one or two ring nitrogen atoms and zero or one ring sulfur or oxygen atom; T7 represents loweralkyl; R8 represents hydrogen or loweralkyl; or R7 and R8 taken together represent polymethylene of 3 or 4 methylene units or polymethylene substituted by lower alkyl, or methano or ethano bridges; and their pharmacologically acceptable salts are made by reacting a carboxylic acid with a substituted 3-hydrazino-6-halo-pyridazine and then reacting the resulting 6-halotriazolopyridazine with a corresponding base. The compounds have pharmacological activity as bronchodilators.

  式中，R3代表氢或低碳基，R6代表氨基，低碳基氨基，二低碳基氨基，杂环氨基或低碳基取代的杂环氨基，其中杂环基形成一个5、6或7个成员的环，有一个或两个环氮原子和零或一个环硫或氧原子；T7代表低碳基；R8代表氢或低碳基；或R7和R8一起代表3或4个亚甲基单元的聚甲基或低碳基取代的聚甲基，或甲烷或乙烷桥；它们的药物学可接受盐是由羧酸与取代的3-肼基-6-卤代吡啶嗪反应，然后将得到的6-卤代三唑吡啶与相应的碱反应制得的。这些化合物具有支气管扩张剂的药理活性。
• 6-((Cyclic amino)alkylamino)tetrahydrotriazolo(3,4-a)phthalazines
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0104506A1

  公开（公告）日：1984-04-04

  Compounds of formula wherein R is hydrogen or alkyl Alk is alkylene m is 0 or 1; and n is 4 or 5; are prepared by the reaction of a 6-halo-7,8.9.10-tatrahydro-1,2,4-triazolo(3.4-a)phthalazine with an sppropriate (cyclic aminol- alkylamine. The compounds are useful as bronchodilators.

  式中的化合物 其中 R 为氢或烷基 Alk 为亚烷基 m 为 0 或 1；n 为 4 或 5；由 6-卤代-7,8.9.10-四氢-1,2,4-三唑并（3.4-a）酞嗪与适当的（环状氨基醇-烷基胺）反应制备。这些化合物可用作支气管扩张剂。
• BOWN D. H.; BRADSHAW J. S., J. ORG. CHEM., 1980, 45, NO 12, 2320-2324
  作者：BOWN D. H.、 BRADSHAW J. S.

  DOI：——

  日期：——