4,5-dihydro-4-phenylpyridazin-3(2H)-one | 99558-16-4

• 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-dihydro-4-phenylpyridazin-3(2H)-one
• 英文别名: 5-phenyl-4,5-dihydro-1H-pyridazin-6-one
• CAS: 99558-16-4
• 化学式: C₁₀H₁₀N₂O
• 分子量: 174.202
• InChiKey: ZQYIULYXYYSWGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-4-phenylpyridazin-3(2H)-one 在 溴 作用下， 以 溶剂黄146 为溶剂， 以75%的产率得到4-phenylpyridazin-3(2H)-one
  参考文献：
  名称：

  Breukelman, Stephen P.; Meakins, G. Denis, Journal of the Chemical Society. Perkin transactions I, 1985, p. 1627 - 1636

  摘要：

  DOI：
• 作为产物：
  描述：

  亚苯甲基丙二酸二乙酯 在 盐酸 、 氢氧化钾 、 硫酸 、 sodium 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 、 溶剂黄146 、 苯 为溶剂， 反应 92.5h， 生成 4,5-dihydro-4-phenylpyridazin-3(2H)-one
  参考文献：
  名称：

  Breukelman, Stephen P.; Meakins, G. Denis, Journal of the Chemical Society. Perkin transactions I, 1985, p. 1627 - 1636

  摘要：

  DOI：

文献信息

• Novel pyridinone and related heterocyclic derivatives
  申请人：——

  公开号：US20040186104A1

  公开（公告）日：2004-09-23

  The present invention relates to a compound of formula (1), (2) or (3) having the following structures: Formula 1, 2, 3 wherein X, Y, and Z are independently C or N; A is a direct bond, CH2 or NH;B is a direct bond or NH; n=0-2; R1 is H, optionally substituted C 1-4 191 alkyl, C 3-7 191 cycloalkyl, halogen, cyano, nitro, aryl, or alkylaryl; R2 is H, C 1-4 191 alkyl, or alkoxy C 1-4 191 alkyl;or R1 and R2 are taken together to form an unsaturated 6-membered aromatic or heterocyclic ring containing one or two heteroatoms fused to the pyridone; R3 is a direct bond, H, C 1-4 191 alkyl, substituted C 1-4 191 alkyl, C 3-7 191 cycloalkyl, aryl or alkylaryl; R4 is a direct bond or H; R5 is C 1-4 191 alkyl or aryl; R6 and R7 are independently H or C 1-4 191 alkyl; R8 and R9 are independently H, C 1-4 191 alkyl, or tert-butoxycarbonyl or R8 and R9 are taken together with the nitrogen to which they are attached and form optionally, unsubstituted, substituted, fused or unsaturated 5-,6-,7-membered heterocycles containing one or two heteroatoms wherein said substituents are selected from the group consisting of hydroxyl, hydroxymethyl, carboxymethyl, carboxy, methoxy, and tert-butoxy;as (R)enantiomers, (S)-enantiomers or a racemate in the form of a free base or a pharmaceutically acceptable salt or solvate thereof. 1

  本发明涉及具有以下结构的式（1），（2）或（3）的化合物：式1，2，3，其中X，Y和Z独立地为C或N；A为直接键，CH2或NH；B为直接键或NH；n＝0-2；R1为H，可选地取代的C1-4191烷基，C3-7191环烷基，卤素，氰基，硝基，芳基或烷基芳基；R2为H，C1-4191烷基或烷氧基C1-4191烷基；或R1和R2一起形成不饱和的6元芳香或杂环环，其中包含一个或两个杂原子与吡啶酮融合；R3为直接键，H，C1-4191烷基，取代的C1-4191烷基，C3-7191环烷基，芳基或烷基芳基；R4为直接键或H；R5为C1-4191烷基或芳基；R6和R7独立地为H或C1-4191烷基；R8和R9独立地为H，C1-4191烷基或叔丁氧羰基或R8和R9与它们连接的氮一起形成可选地未取代，取代，融合或不饱和的5、6、7元杂环，其中所述取代基从羟基，羟甲基，羧甲基，羧基，甲氧基和叔丁氧基的群中选择；作为（R）对映体，（S）-对映体或自由碱形式或药学上可接受的盐或溶剂的混合物。
• Pyridazin (2H)-3-ones, process for their preparation and their use in antihypertensive agents
  申请人：DIAMOND SHAMROCK CORPORATION

  公开号：EP0018063A1

  公开（公告）日：1980-10-29

  Substituted keto-pyridazine compounds of the formula where R, and R7 are substituents selected from atoms and groups as listed in the disclosure and X and Y denote the same or different optional substituents also selected as listed in the disclosure, are new compounds which are useful antihypertensive agents. The methods of preparation and properties of examples of the compounds are given, together with their use as antihypertensive agents.

  式中的取代酮哒嗪化合物 其中 R 和 R7 是选自公开文献中所列原子和基团的取代基，X 和 Y 表示相同或不同的任选取代基，也选自公开文献中所列基团。本文给出了这些化合物的制备方法和性质实例，以及它们作为降压药的用途。
• 2-Aminopyrimidinone derivatives
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0197664A2

  公开（公告）日：1986-10-15

  Compounds of the formula (I) : and pharmaceutically acceptable salts are described, wherein R' is hydrogen or methyl; and R2 and R3 are independently hydrogen, C1-4alkyl, phenyl(C1-4)alkyl or pyridyl(C1-4)alkyl, any of such groups being optionally substituted by one or two hydroxy, C1- 4alkoxy or C1-4 alkyl groups; or R2 and R3 together with the carbon atoms to which they are joined form a benzene ring which is optionally substituted by C1- 4alkyl. These compounds have inotropic, vasodilator, bronchodilating and platelet aggregation inhibiting properties. Pharmaceutical compositions are described as are methods of use. Intermediates and processes for the preparation of the compounds of the formula (I) are described.

  所述的式(I):化合物及药学上可接受的盐类，其中 R' 为氢或甲基；R2 和 R3 独立地为氢、C1-4烷基、苯基（C1-4）烷基或吡啶基（C1-4）烷基，其中任一基团可任选被一个或两个羟基、C1-4烷氧基或 C1-4 烷基取代；或 R2 和 R3 与它们连接的碳原子一起形成一个苯环，该苯环可任选被 C1-4 烷基取代。 这些化合物具有肌力、血管扩张、支气管扩张和血小板聚集抑制特性。此外，还介绍了药物组合物以及使用方法。还描述了制备式 (I) 化合物的中间体和工艺。
• 5-methyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one derivative
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10611731B2

  公开（公告）日：2020-04-07

  The present invention provides an agent for treating malignant tumor, comprising a compound of formula (1): wherein R1 to R4 are hydrogen atom, halogen, or etc., Y is optionally-substituted alkylene group or etc.

  本发明提供了一种治疗恶性肿瘤的制剂，它包含式（1）化合物： 其中 R1 至 R4 为氢原子、卤素或其他，Y 为任选取代的亚烷基或其他。
• BREUKELMAN, S. P.;MEAKINS, G. D.;ROE, A. M., J. CHEM. SOC. PERKIN TRANS., 1985, N 8, 1627-1635
  作者：BREUKELMAN, S. P.、MEAKINS, G. D.、ROE, A. M.

  DOI：——

  日期：——