4,5-diphenyl-2-methyl-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: 4,5-diphenyl-2-methyl-3(2H)-pyridazinone
• 英文别名: 2-Methyl-4,5-diphenyl-pyridazin-3(2h)-one；2-methyl-4,5-diphenylpyridazin-3-one
• 化学式: C₁₇H₁₄N₂O
• 分子量: 262.311
• InChiKey: BNFYPAGZNXSABG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,5-二溴-2-甲基-2H-吡嗪-3-酮 、 苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成 4,5-diphenyl-2-methyl-3(2H)-pyridazinone
  参考文献：
  名称：

  3（2 H）-哒嗪酮的交叉偶联和金属化化学在杀真菌剂和除草剂发现中的应用†

  摘要：

  DOI：

  10.1002/jhet.5570420310

文献信息

• N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：Niu Deqiang

  公开号：US20080267917A1

  公开（公告）日：2008-10-30

  The present invention relates to functionalized amides of Formula I or Formula II, including pharmaceutically acceptable salts, esters, or prodrugs thereof which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及式I或式II的功能化酰胺，包括抑制丝氨酸蛋白酶活性的药用可接受盐、酯或前药，尤其是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也用作抗病毒剂。本发明进一步涉及包含上述化合物的药物组合物，用于给患有HCV感染的对象进行给药。本发明还涉及通过管理包含本发明化合物的药物组合物来治疗对象中的HCV感染的方法。
• Cross-coupling reactions with boronic acids in water catalysed by oxime-derived palladacycles
  作者：Luis Botella、Carmen Nájera

  DOI：10.1016/s0022-328x(02)01727-8

  日期：2002.12

  Palladacycles derived from phenone-oximes 1 are efficient precatalysts for the Suzuki–Miyaura coupling of arylboronic acids with aromatic and heteroaromatic bromides and chlorides under water reflux under aerobic conditions. Alternatively, the coupling can also be carried out at room temperature in methanol–water. Aryl bromides gave biaryls with TON up to 105 and TOF up to 7×104 h−1. Activated and

  衍生自苯酮肟1的Palladacycles是有氧条件下在水回流下芳烃硼酸与芳族和杂芳族溴化物和氯化物的Suzuki-Miyaura偶联的有效预催化剂。或者，也可以在室温下在甲醇-水中进行偶联。芳基溴化物使联芳基的TON高达10 5，TOF高达7×10 4 h -1。活化和失活的芳基氯化物需要存在TBAB才能偶联，表现出稍低的效率（TON高达9000，TOF高达3850 h -1）。C（sp 2）C（sp 3）也可以通过三甲基环硼氧烷和丁基硼酸与芳族溴化物和氯化物在水回流下以及苄基和烯丙基氯化物或乙酸酯与芳基硼酸在丙酮-水中在室温下的交叉偶联反应形成。
• HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS
  申请人：MOORE JOEL D.

  公开号：US20080269228A1

  公开（公告）日：2008-10-30

  The present invention relates to novel hydrazide-containing compounds of Formula I or Formula II, including pharmaceutically acceptable salts, esters, or prodrugs thereof which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明涉及式I或式II的新型含酰肼化合物，包括抑制丝氨酸蛋白酶活性的药物可接受的盐、酯或前药，尤其是丙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且还作为抗病毒剂是有用的。本发明进一步涉及包含上述化合物的药物组合物，用于给患有HCV感染的对象进行给药。本发明还涉及通过管理包含本发明化合物的药物组合物来治疗对象中的HCV感染的方法。
• First Cross-Coupling Reaction of Potassium Aryltrifluoroborates with Organic Chlorides in Aqueous Media Catalyzed by an Oxime-Derived Palladacycle
  作者：Emilio Alacid、Carmen Nájera

  DOI：10.1021/ol802024j

  日期：2008.11.6

  aryltrifluoroborates are cross-coupled with aryl and heteroaryl chlorides using a 4-hydroxyacetophenone oxime-derived palladacycle as precatalyst, K2CO3 as base, and TBAB as additive in refluxing water under conventional and microwave heating affording the corresponding biphenyls under phosphine-free conditions. For the arylation of allyl and benzyl chlorides, KOH is used as base in acetone-water (3:2)

  芳基三氟硼酸钾与芳基和杂芳基氯化物交联，使用4-羟基苯乙酮肟肟基的Palladacycle作为预催化剂，K2CO3作为碱，TBAB作为添加剂，在常规和微波加热的回流水中，在无膦条件下提供相应的联苯。对于烯丙基氯和苄基氯的芳基化，在丙酮或水（3：2）中，在rt或50摄氏度下，使用0.1 mol％的Pd负载，分别使用KOH作为碱，分别提供烯丙基苯和二芳基甲烷。
• Suzuki-Miyaura and Related Cross-Couplings in Aqueous Solvents Catalyzed by Di(2-pyridyl)methylamine-Palladium Dichloride Complexes
  作者：Carmen Nájera、Juan Gil-Moltó、Sofia Karlström

  DOI：10.1002/adsc.200404195

  日期：2004.12

  dichloride complexes 4 are versatile catalysts for different types of cross-coupling reactions in water or aqueous solvents under aerobic conditions. The Suzuki–Miyaura reaction of arylboronic acids can be performed with bromoarenes under water reflux using K2CO3 as base or at room temperature or 60 °C in aqueous methanol using KOH as base. For aryl chlorides the corresponding cross-couplings with arylboronic

  基于二（2-吡啶基）甲胺的二氯化钯配合物4是通用的催化剂，用于在好氧条件下在水或水性溶剂中进行不同类型的交叉偶联反应。芳基硼酸的Suzuki-Miyaura反应可以与溴代芳烃在回流下，以K 2 CO 3为碱，或在室温或60°C的甲醇水溶液中，以KOH为碱，进行。对于芳基氯化物，相应的与芳基硼酸的交叉偶联可以在回流水中与K 2 CO 3进行。作为碱，以TBAB为添加剂，以提供联芳基和杂联芳基。芳基硼酸还在以K 2 CO 3为碱或在室温下在丙酮水溶液和KOH为碱的回流水中与苄基氯和烯丙基底物如氯化物，乙酸盐或碳酸盐反应，得到二芳基甲烷和芳基丙烯。三甲基环硼氧烷和烷基硼酸在水中与K 2 CO 3回流下与溴代和氯代芳烃偶联作为基础，TBAB作为添加剂，提供甲基和丁基芳烃。这些交叉耦合也已经在微波辐射下在较短的时间内完成了。几种重要的中间体，例如4'-甲基联苯-2-腈，4-联苯乙酸，3-（3-甲基苯基）苯甲酸，4