2-tert-butyl-4,5-dibromo-3(2H)-pyridazinone

• 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-tert-butyl-4,5-dibromo-3(2H)-pyridazinone
• 英文别名: 4,5-dibromo-2-(tert-butyl)pyridazin-3(2H)-one；4,5-dibromo-2-(t-butyl)pyridazin-3(2H)-one；2-tert.-butyl-4,5-dibromo-3(2H)-pyridazinone；4,5-dibromo-2-t-butyl-3(2H)-pyridazinone；4,5-dibromo-2-(tert-butyl)-3(2H)-pyridazinone；4,5-dibromo-2-tert-butylpyridazin-3-one
• 化学式: C₈H₁₀Br₂N₂O
• 分子量: 309.988
• InChiKey: KJEYWGXQUPGWLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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-tert-butyl-4,5-dibromo-3(2H)-pyridazinone 在 盐酸 、 sodium hydrogensulfide 作用下， 以 水 为溶剂， 生成 2-tert-butyl-4-bromo-5-mercapto-3(2H)-pyridazinone
  参考文献：
  名称：

  Benzylthio pyridazinone derivatives, preparation thereof, and

  摘要：

  3(2H)-吡啶嗪酮衍生物，化学式为I：##STR1##其中，R为直链或支链的C.sub.2到C.sub.6烷基，R.sup.1和R.sup.2分别独立地是氢或较低的烷基，R.sup.4是卤素，R.sup.3是卤素，烷基，环烷基，烷氧基，卤代烷基，卤代烷氧基，--CN，--NO.sub.2，苯基，苄氧基，苄基，苯氧基，苯硫基，吡啶氧基，喹啉氧基，较低烯氧基，较低烷硫基，较低卤代烷硫基，--Si(CH.sub.3).sub.3，--OH，--N(CH.sub.3).sub.2，--SCN，--COOCH.sub.3或--OCH(CH.sub.3)COOC.sub.2 H.sub.5，n为1到5的整数，当n为2到5的整数时，所述的R.sup.3可以相同也可以不同。还提供了一种制备这些衍生物的方法。这些衍生物可用作农业和园艺用途的杀虫剂、杀螨剂、杀线虫剂和/或杀真菌剂的活性成分，以及用于驱逐寄生在动物身上的蜱虫的驱虫剂成分。

  公开号：

  US04877787A1

文献信息

• COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS
  申请人：Lantheus Medical Imaging, Inc.

  公开号：US20150196672A1

  公开（公告）日：2015-07-16

  The present invention provides compounds with imaging moieties for imaging a subject. The present invention also relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor may be converted to an imaging agent using the methods described herein. In some cases, a composition or plurality of imaging agents is enriched in 18 F. In some cases, an imaging agent may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs.

  本发明提供了具有成像基团的化合物，用于对受试者进行成像。本发明还涉及用于合成和使用成像试剂或其前体的系统、组合物和方法。成像试剂前体可以使用本文所述的方法转化为成像试剂。在某些情况下，组合物或多种成像试剂富集于 18 F。在某些情况下，成像试剂可用于成像受试者的感兴趣区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。
• Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0665223A1

  公开（公告）日：1995-08-02

  Anti-tomor agents comprising novel 3(2H)-pyridazinone derivatives or salts thereof and methods of producing the same are disclosed. Also disclosed is a method for treating or preventing tumors by administering to a mammal a therapeutically effective amount of 4,5-di substituted 3(2H)-pyridazinones and salts thereof.

  本发明公开了包含新型3(2H)-吡啶嗪酮衍生物或其盐的抗肿瘤剂和其制备方法。同时还公开了一种通过向哺乳动物施用治疗有效量的4,5-二取代3(2H)-吡啶嗪酮及其盐来治疗或预防肿瘤的方法。
• Pyridazinone derivatives, preparation thereof, and insecticidal,
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US05026850A1

  公开（公告）日：1991-06-25

  Compounds of the formula: ##STR1## wherein R is a member selected from the group consisting of lower alkyls having from 2 to 4 carbon atoms; and chlorine and bromine. The compounds are useful as active ingredients in, e.g., insecticidal, acaricidal, nematicidal, fungicidal and expellant compositions.

  化合物的公式为：##STR1## 其中R是从由具有2到4个碳原子的低烷基，氯和溴组成的群体中选择的成员。这些化合物可用作杀虫剂、杀螨剂、杀线虫剂、杀菌剂和驱虫剂组合物中的活性成分。
• Pyridazinone derivatives, preparation thereof and insecticidal, acaricidal, fungicidal compositions
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0134439A1

  公开（公告）日：1985-03-20

  Novel 3(2H)-pyridazinone derivatives having the formula wherein, R ist an straight or branched C2 to C6 alkyl, R1 and R2 are each independently hydrogen or a lower alkyl, R4 is a halogen, R3 is a halogen, an alkyl, a cycloalkyl, an alkoxy, a haloalkyl, a haloalkoxy, -CN, -N02, a phenyl, a benzyloxy, a benzyl, a phenoxy, a phenylthio, a pyridyloxy, a quinoxalyloxy, a lower alkenyloxy, a lower alkylthio, a lower haloalkylthio, -Si(CH3)3, -OH, -N(CH3)2, -SCN, -COOCH3 or -OCH(CH3)COOC2H5, and n is an integer of 1 to 5, said R3 being the same or different when n is an integer of 2 to 5. A process for preparation of said derivatives is also provided. These derivatives are useful as an active ingredient of insecticidal, acaricidal, nematicidal and/or fungicidal compositions for agricultural and horticultural uses as well as of expellent compositions for ticks parasitic on animals.

  新型 3(2H)-哒嗪酮衍生物，其式如下 苯硫基、吡啶氧基、喹喔啉氧基、低级烯氧基、低级烷硫基、低级卤代烷硫基、-Si(CH3)3、-OH、-N(CH3)2、-SCN、-COOCH3 或-OCH(CH3)COOC2H5，且 n 为 1 至 5 的整数，当 n 为 2 至 5 的整数时，所述 R3 相同或不同。还提供了制备上述衍生物的工艺。这些衍生物可用作农业和园艺用途的杀虫、杀螨、杀线虫和/或杀真菌组合物以及驱除寄生在动物身上的蜱组合物的活性成分。
• Pyridazinone derivatives and the preparation thereof
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0239728A2

  公开（公告）日：1987-10-07

  Novel 3(2H)-pyridazinone derivatives which, in their free acid form, are 4-halogenated-5-mercapto-3(2H)-pyridazinones having a straight or branched C2 to C6 alkyl substituent in the 2-position of their structure. These products are made by interaction of a corresponding 4,5-di-halogenated-3(2H)-pyridazinone with a hydrosulfide, preferably in aqueous solution. The direct product of this interaction is usually a salt, from which the free acid form can be obtained by acidification. The products are useful as intermediates for the production of insecticidal, acaricidal, nematicidal and fungicidal products for agricultural and horticultural use. Preferred compounds are 2-tertiary-butyl-4-chloro-5-mercapto-3(2H)-pyridazinone and 3-tertiary-butyl-4-bromo-5-mercapto-3(2H)-pyridazinone.

  新型 3(2H)-哒嗪酮衍生物，其游离酸形式为 4-卤代-5-巯基-3(2H)-哒嗪酮，在其结构的 2 位上具有直链或支链 C2 至 C6 烷基取代基。这些产品是通过相应的 4,5-二卤化-3(2H)-哒嗪酮与硫氢化物（最好是在水溶液中）的相互作用制成的。这种作用的直接产物通常是一种盐，通过酸化可以得到游离酸形式。这些产品可作为中间体，用于生产杀虫、杀螨、杀线虫和杀真菌的农用和园艺产品。首选化合物是 2-叔丁基-4-氯-5-巯基-3(2H)-哒嗪酮和 3-叔丁基-4-溴-5-巯基-3(2H)-哒嗪酮。