3,4-二碘基吡唑 | 6645-70-1

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 3,4-二碘基吡唑
• 中文别名: 3,4-二碘吡唑
• 英文名称: 3,4-diiodopyrazole
• 英文别名: 3,4-diiodo-1H-pyrazole；4,5-diiodo-1H-pyrazole
• CAS: 6645-70-1
• 化学式: C₃H₂I₂N₂
• 分子量: 319.871
• InChiKey: NQFPCGSUWQGQNW-UHFFFAOYSA-N

物化性质

• 密度：
  3.042

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4-二碘基吡唑 在 硝酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以96%的产率得到3,4-二硝基吡唑
  参考文献：
  名称：

  Silica–Sulfuric Acid Catalyzed Nitrodeiodination of Iodopyrazoles

  摘要：

  We report here the synthesis of nitropyrazoles in good to excellent yields from iodopyrazoles over silica-sulfuric acid catalyst for the first time. The present procedure require less acid, offers a simplified workup procedure, and may be applied for the nitration of a wide variety of iodoazoles in drug and pharmaceutical industries.

  DOI：

  10.1080/00397911.2011.584261
• 作为产物：
  描述：

  1,3,4-triiodo-1H-pyrazole 在 亚硫酸 作用下， 生成 3,4-二碘基吡唑
  参考文献：
  名称：

  Huettel, Rudolf; Schaefer, Otto; Jochum, Peter, Justus Liebigs Annalen der Chemie, 1955, vol. 593, p. 200 - 207

  摘要：

  DOI：

文献信息

• Dense Iodine-Rich Compounds with Low Detonation Pressures as Biocidal Agents
  作者：Chunlin He、Jiaheng Zhang、Jean'ne M Shreeve

  DOI：10.1002/chem.201300565

  日期：2013.6.3

  Fifteen iodo compounds and six iodyl compounds with an iodine content between 45.3 and 89.0 % were prepared. The mono, di, and triiodyl compounds were obtained from the corresponding iodo compound by employing Oxone. All the compounds were characterized by IR, 1H and 13C NMR, elemental analysis, and differential scanning calorimetry (DSC). The impact sensitivity was measured by using BAM (Bundesamt

  制备了十五种碘化合物和六种碘化合物，其碘含量在45.3％至89.0％之间。通过使用Oxone，从相应的碘代化合物获得单，二和三碘基化合物。所有化合物均通过IR，1 H和13 C NMR，元素分析和差示扫描量热法（DSC）表征。冲击敏感度通过使用BAM（BundesamtfürMaterialforschung）方法进行测量。根据计算出的地层热和实验密度，采用Cheetah 6.0预测了爆轰性能和爆轰产物。含碘物质的总百分比（wt％）（I 2，HI和气相中的I）范围为46.7（21）至88.94％（11）被发现在爆炸产物中。碘和/或含碘物种的高浓度和易获取性对于开发适合用作特工击败武器（ADW）的材料非常重要。
• Synthesis of substituted-3-iodo-1H-pyrazole derivatives and their further modification under Sonogashira cross coupling reaction conditions
  作者：Rita Mazeikaite、Jurgis Sudzius、Gintaras Urbelis、Linas Labanauskas

  DOI：10.3998/ark.5550190.p008.842

  日期：——

  ethoxyethyl)-3-iodo-1H-pyrazole derivatives has been developed. During th is work protection reaction of N-H bond in substituted 3-iodo-1 H-pyrazole derivatives with ethyl vinyl ether and migration of ethoxyethyl protecting group was inves tigated. Synthetic possibilities of Sonogashira cross-coupling reactions of substituted 1-(1-ethoxy ethyl)-3-iodo-1H-pyrazole derivatives with phenylacetylene were studied

  已经开发了用于制备有价值的合成中间体-1-(1-乙氧基乙基)-3-碘-1H-吡唑衍生物的便利合成路线。研究了取代的3-碘-1H-吡唑衍生物中NH键与乙基乙烯基醚的保护反应和乙氧基乙基保护基团的迁移。研究和评估了取代 1-(1-乙氧基乙基)-3-碘-1H-吡唑衍生物与苯乙炔的 Sonogashira 交叉偶联反应的合成可能性。
• [EN] AZA-PYRIDONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS D'AZA-PYRIDONE ET LEURS UTILISATIONS
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2016145103A1

  公开（公告）日：2016-09-15

  Disclosed herein are aza-pyridone compounds, pharmaceutical compositions that include one or more aza-pyridone compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a disease and/or a condition, including an orthomyxovirus infection, with an aza-pyridone compound. Examples of an orthomyxovirus viral infection include an influenza infection.

  本文披露了氮杂吡啶酮化合物、包含一种或多种氮杂吡啶酮化合物的药物组合物，以及合成这些化合物的方法。本文还披露了使用氮杂吡啶酮化合物改善和/或治疗疾病和/或病况的方法，包括对流感病毒感染等病况的治疗。其中，流感病毒感染是一种流感感染的例子。
• Miethchen, R.; Randow, R.; Listemann, R., Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 5, p. 799 - 805
  作者：Miethchen, R.、Randow, R.、Listemann, R.、Hildebrandt, J.、Kohlheim, K.

  DOI：——

  日期：——
• Faujasite catalyzed nitrodeiodination of iodopyrazoles
  作者：P. Ravi、Surya P. Tewari

  DOI：10.1016/j.catcom.2013.07.032

  日期：2013.12

  Nitrodeiodination of iodopyrazoles using nitric acid/Faujasite has been investigated. The present procedure is simple, rapid and convenient and requires no sulfuric acid or oleum and may be applied for the synthesis of several nitropyrazoles in good yields in drug and pharmaceutical industries. (C) 2013 Elsevier B.V. All rights reserved.