4-phenyl-1,2-dihydropyrazol-3-one | 54934-30-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-phenyl-1,2-dihydropyrazol-3-one
• 英文别名: 4-Phenyl-1,2-dihydro-pyrazol-3-on；4-phenyl-1H-pyrazol-3(2H)-one
• CAS: 54934-30-4
• 化学式: C₉H₈N₂O
• mdl: MFCD18800963
• 分子量: 160.175
• InChiKey: UMXPWADOHPVTDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-phenyl-1,2-dihydropyrazol-3-one 在 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 tert-butyl 3-methoxy-4-phenyl-1H-pyrazole-1-carboxylate
  参考文献：
  名称：

  [EN] PURINES AND METHODS OF THEIR USE
  [FR] PURINES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.

  公开号：

  WO2023107552A2
• 作为产物：
  描述：

  2-(4b-dimethylaminomethylene)-2-phenyl ethyl acetate 在 盐酸肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以80%的产率得到4-phenyl-1,2-dihydropyrazol-3-one
  参考文献：
  名称：

  杂环合成中的β-烯氨基酯：吡唑酮和吡啶酮衍生物的合成。

  摘要：

  已经描述了使用烯氨基酯作为起始材料有效且方便地合成吡咯烷酮和吡啶酮。所得化合物的结构经光谱和元素分析证实。

  DOI：

  10.3390/molecules15064359

文献信息

• Chemoselective Reduction of α-Cyano Carbonyl Compounds: Application to the Preparation of Heterocycles
  作者：Scott R. Pollack、Jeffrey T. Kuethe

  DOI：10.1021/acs.orglett.6b03285

  日期：2016.12.16

  in synthesis. General methods for their preparation typically afford α and β disubstitution patterns or β only. Molecules with only α-substituents (β-hydrogen) are much less well-known. A chemoselective reductive tautomerization of α-cyanoacetates, using DIBAL-H, has been developed to access these valuable synthons. α,β-Unsaturated cyanoacetates and α-cyanoketones can, also, be selectively reduced via

  β-氨基丙烯酸酯是反应性中间体，是合成中有用的组成部分。制备它们的通用方法通常仅提供α和β破坏模式或仅提供β。仅具有α-取代基（β-氢）的分子是众所周知的。已经开发出使用DIBAL-H进行α-氰基乙酸酯化学选择性还原互变异构的方法，以获取这些有价值的合成子。也可以通过该方法选择性地还原α，β-不饱和氰基乙酸酯和α-氰基酮。使用这些β-烯氨基羰基化合物制备了一系列杂环。
• Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them
  申请人：Genevois-Borella Arielle

  公开号：US20050165005A1

  公开（公告）日：2005-07-28

  The present invention relates to the novel derivatives of formula (I) in which A is, if it is present, a (C1-C6) alkyl, a (C3-C6) alkenyl, a (C3-C6) alkynyl, a (C3-C7) cycloalkyl or a (C5-C7) cycloalkenyl, R1 is an NR6R7, (C4-C7) azacycloalkyl, (C5-C7) azacycloalkenyl, (C5-C9) azabicycloalkyl or (C5-C9) azabicycloalkenyl group; A-R1 is such that the nitrogen of R1 and the nitrogen in the 1-position of the pyrazole are necessarily separated by at least two carbon atoms, R3 is an H, halogen, OH, SH, NH 2 , ORc, SRc, SORa, SO 2 Ra, NHCHO, NRaRb, NHC(O)Ra, NHC(S)Ra or NHSO 2 Ra, R4 is an aryl or heteroaryl; and R5 is an H, halogen, CF 3 , CHF 2 , CH 2 F, linear or branched (C1-C6) alkyl or (C3-C7) cycloalkyl to their racemates, enantiomers and diastereoisomers and to their mixtures, their tautomers and to their pharmaceutically acceptable salts.

  本发明涉及公式(I)的新颖衍生物，其中A是，如果存在的话，(C1-C6)烷基，(C3-C6)烯基，(C3-C6)炔基，(C3-C7)环烷基或(C5-C7)环烯基，R1是NR6R7，(C4-C7)氮杂环烷基，(C5-C7)氮杂环烯基，(C5-C9)氮杂双环烷基或(C5-C9)氮杂双环烯基；A-R1是这样的，即R1的氮原子和吡唑的1位的氮原子之间至少被两个碳原子分隔，R3是H，卤素，OH，SH，NH2，ORc，SRc，SORa，SO2Ra，NHCHO，NRaRb，NHC(O)Ra，NHC(S)Ra或NHSO2Ra，R4是芳基或杂芳基；R5是H，卤素，CF3，CHF2，CH2F，直链或支链(C1-C6)烷基或(C3-C7)环烷基，它们的外消旋体、对映体和非对映异构体，以及它们的混合物，它们的互变异构体和它们的药学上可接受的盐。
• Alkoxypyrazoles and the process for their preparation
  申请人：Institut Pasteur

  公开号：EP2151434A1

  公开（公告）日：2010-02-10

  The present invention relates to a process for the preparation of alkoxypyrazoles and new alkoxypyrazole compounds.

  本发明涉及一种制备烷氧基吡唑和新烷氧基吡唑化合物的方法。
• [EN] ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE<br/>[FR] ACTIVATEURS DE GUANYLATE CYCLASE SOLUBLE
  申请人：UNIV LONDON

  公开号：WO2000027394A1

  公开（公告）日：2000-05-18

  The present invention describes the use of pyrazole or indazole derivates as activators of soluble guanylate cyclase. Some compounds disclosed are novel. All activators are vasodilators and/or inhibit platelet aggregation and are therefore useful in the treatment of peripheral vascular diseases such as hypertension, angina pectoris or atherosclerosis, or in the treatment of prevention of glaucoma, preeclampsia, Raynaud's syndrome, stroke or erectile disfunctions.

  本发明描述了将吡唑或吲唑衍生物用作可溶性鸟苷酸环化酶的激活剂。其中一些化合物是新颖的。所有激活剂均为血管扩张剂和/或抑制血小板聚集剂，因此可用于治疗外周血管疾病，如高血压、心绞痛或动脉粥样硬化，或用于预防青光眼、先兆子痫、雷诺综合征、中风或勃起功能障碍。
• Silver halide photographic material
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0313021A1

  公开（公告）日：1989-04-26

  A silver halide photographic material having provided on a support, at least one red sensitive emulsion layer comprising a silver halide emulsion having a silver chloride content of from 90 to 100 mol% and spectrally sensitized by a red sensitizing dye having a reduction potential at a value of -1.27 (V vs SCE) or more negative and a nitrogen-containing heterocyclic compound, exhibits reduced fluctuation in photographic sensitivity depending on the change in the printing temperature and reduced fluctuation in photographic sensitivity due to long term storage under the normal condition.

  一种卤化银感光材料，在支架上至少有一层红色感光乳剂层，该层由氯化银含量为 90 至 100 摩尔%的卤化银乳剂组成，并由还原电位为-1.27（V vs SCE）或更负值的红色感光染料和含氮杂环化合物进行光谱感光。