4-iodo-3,6-dimethoxypyridazine | 262353-13-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-iodo-3,6-dimethoxypyridazine
• 英文别名: 4-Iodo-3,6-dimethoxy-pyridazine
• CAS: 262353-13-9
• 化学式: C₆H₇IN₂O₂
• 分子量: 266.038
• InChiKey: PBOOYGQKAOBZFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-iodo-3,6-dimethoxypyridazine 在 二丁基镁 、 diclazuril 、 乙醇-D1 作用下， 以 四氢呋喃 、 正庚烷 为溶剂， 反应 0.75h， 以72%的产率得到4-deuterio-3,6-dimethoxypyridazine
  参考文献：
  名称：

  First Study of Syntheses and Reactivity of Grignard Compounds in the Diazine Series. Diazines. Part 27

  摘要：

  A preparation of Grignard derivatives of diazines is described using a halogen magnesium exchange reaction. This convenient method allows the functionalization of these rings at 0 degrees C or even room temperature. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00948-5
• 作为产物：
  描述：

  4,5-diiodo-3,6-dimethoxypyridazine 在 异丙基氯化镁 、 乙醛 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以45%的产率得到4-iodo-3,6-dimethoxypyridazine
  参考文献：
  名称：

  First Study of Syntheses and Reactivity of Grignard Compounds in the Diazine Series. Diazines. Part 27

  摘要：

  A preparation of Grignard derivatives of diazines is described using a halogen magnesium exchange reaction. This convenient method allows the functionalization of these rings at 0 degrees C or even room temperature. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00948-5

文献信息

• Regio- and Chemoselective Zincation of Sensitive and Moderately Activated Aromatics and Heteroaromatics Using TMPZnCl·LiCl
  作者：Tomke Bresser、Marc Mosrin、Gabriel Monzon、Paul Knochel

  DOI：10.1021/jo100884u

  日期：2010.7.16

  A broad range of functionalized aryl- and heteroarylzinc reagents were prepared via directed zincation of sensitive and moderately activated aromatics and heteroaromatics using TMPZnCl·LiCl under various reaction conditions. Diverse sensitive functional groups such as a nitro group, an aldehyde, an ester, and a nitrile are readily tolerated and are compatible with high metalation temperatures. Furthermore

  在不同的反应条件下，通过使用TMPZnCl·LiCl对敏感和中等活化的芳族化合物和杂芳族化合物进行定向锌化，可以制备各种功能化的芳基和杂芳基锌试剂。诸如硝基，醛，酯和腈之类的多样的敏感官能团容易被耐受并且与高金属化温度相容。此外，所得的锌有机金属化合物对各种种类的亲电子试剂显示出优异的反应性，从而以高收率提供官能化的芳族化合物和杂芳族化合物。
• Syntheses in the Nitrogen π-Deficient Heterocycles Series Using a Barbier Type Reaction Under Sonication. Diazines. Part 29
  作者：Anne Leprêtre、Alain Turck、Nelly Plé、Guy Quéguiner

  DOI：10.1016/s0040-4020(00)00291-x

  日期：2000.6

  Barbier type reaction with lithium metal has been tested under sonication on pyridines, a cinnoline and on various diazines. This very convenient method allows a very fast and smooth functionalization of these heterocycles.

  已经在吡啶，cinnoline和各种二嗪上超声处理下测试了与锂金属的Barbier型反应。这种非常方便的方法可以使这些杂环非常快速，平稳地官能化。
• Sulfonylureas and sulfonylthioureas as NLRP3 inhibitors
  申请人：Inflazome Limited

  公开号：US11370776B2

  公开（公告）日：2022-06-28

  The present invention relates to compounds of formula (I): wherein Q is O or S, R1 is a 6-membered heteroaryl group containing at least one nitrogen atom in the 6-membered ring structure, wherein R1 may optionally be substituted, and R2 is a cyclic group substituted at the α-position, wherein R2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.

  本发明涉及式（I）化合物： 其中 Q 是 O 或 S，R1 是在 6 元环结构中含有至少一个氮原子的 6 元杂芳基，其中 R1 可任选被取代，R2 是在α 位被取代的环状基团，其中 R2 可任选被进一步取代。本发明进一步涉及此类化合物的盐、溶液剂和原药，涉及包含此类化合物的药物组合物，涉及此类化合物在治疗和预防医学紊乱和疾病中的用途，特别是通过抑制 NLRP3。
• SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS
  申请人：Inflazome Limited

  公开号：EP3649112A1

  公开（公告）日：2020-05-13
• [EN] SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS<br/>[FR] SULFONYLURÉES ET SULFONYLTHIOURÉES EN TANT QU'INHIBITEURS DE NLRP3
  申请人：INFLAZOME LTD

  公开号：WO2019008029A1

  公开（公告）日：2019-01-10

  The present invention relates to compounds of formula (I): wherein Q is O or S, R1 is a 6-membered heteroaryl group containing at least one nitrogen atom in the 6-membered ring structure, wherein R1 may optionally be substituted, and R2 is a cyclic group substituted at the α-position, wherein R2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.