1-(2,4,6-三氯苯基)-3-氨基-5-吡唑酮 | 27241-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2,4,6-三氯苯基)-3-氨基-5-吡唑酮
• 中文别名: 3-氨基-1-(2,4,6-三氯苯基)-5-吡唑啉酮；5-氨基-2,4-二氢-2-(2,4,6-三氯苯基)-3H-吡唑-3-酮；263-吡唑酮；5-氨基-2-(2,4,6-三氯苯胺)-2,4-二氢-吡喃-3-酮；1-(2,4,6-三氯苯基)3-氨基-5-吡唑酮
• 英文名称: 1-(2,4,6-Trichlor-phenyl)-3-amino-pyrazolon-(5)
• 英文别名: 5-amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one；3-amino-1-(2,4,6-trichlorophenyl)-5-pyrazolone；3-Amino-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one；5-amino-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
• CAS: 27241-31-2
• 化学式: C₉H₆Cl₃N₃O
• mdl: MFCD00020743
• 分子量: 278.525
• InChiKey: FOGGKKWSFIESMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  218 °C (dec.)(lit.)
• 沸点：
  411.5±55.0 °C(Predicted)
• 密度：
  1.76±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  避免接触强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  58.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2933199090
• 安全说明：
  S26,S36

制备方法与用途

化学性质：黄白色的粉末。

用途：用作有机合成中的中间体。

反应信息

• 作为反应物：
  描述：

  1-(2,4,6-三氯苯基)-3-氨基-5-吡唑酮 在 硫酸 、 双氧水 、 溶剂黄146 作用下， 以 乙醚 为溶剂， 生成 7-amino-2,2-dimethyl-5-(2,4,6-trichlorophenyl)-1-oxa-5,6-diazaspiro[2.4]hept-6-en-4-one
  参考文献：
  名称：

  Kirschke, Klaus; Schmitz, Ernst, Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 1, p. 35 - 44

  摘要：

  DOI：
• 作为产物：
  描述：

  3-acetylamino-1-(2,4,6-trichlorophenyl)-4,5-dihydropyrazol-5-one 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以79%的产率得到1-(2,4,6-三氯苯基)-3-氨基-5-吡唑酮
  参考文献：
  名称：

  A new synthetic route to 3-acylamino-1-aryl-2-pyrazolin-5-ones

  摘要：

  DOI：

  10.1021/jo00200a047

文献信息

• Synthesis of 3-(3″-Aminobenzoylamido)-1-(2′,4′,6′-trichlorophenyl)pyrazol-5-one, an Intermediate in the Synthesis of the Purple Component of Color Photographic Materials
  作者：Yu. M. Yutilov、N. N. Smolyar、L. V. Minkina

  DOI：10.1007/s11167-005-0274-3

  日期：2005.2

  Catalytic reduction of 3-(3″-nitrobenzoylamido)-1-(2′,4′,6′-trichlorophenyl)pyrazol-5-one with hydrogen and hydrazine hydrate to 3-(3″-aminobenzoylamido)-1-(2′,4′,6′-trichlorophenyl)pyrazol-5-one, the key intermediate in the synthesis of the purple component of color photographic and motion-picture materials, was studied.

  用氢气和水合肼对3-(3″-硝基苯甲酰胺)-1-(2′,4′,6′-三氯苯基)吡唑-5-酮进行催化还原，以合成紫色成分的关键中间体3-(3″-氨基苯甲酰胺)-1-(2′,4′,6′-三氯苯基)吡唑-5-酮，该成分用于彩色摄影和电影材料的合成。
• Silver halide color photographic light-sensitive material
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04435503A1

  公开（公告）日：1984-03-06

  A silver halide color photographic light-sensitive material containing a 4-equivalent magenta color image forming polymer coupler latex and at least one compound capable of reacting with and fixing formaldehyde gas. The silver halide color photographic light-sensitive material has good film strength and a reduced layer thickness. It is possible to avoid the decrease in color density and the formation of fog normally present when the silver halide color photographic light-sensitive material is stored for a long period of time in contact with formaldehyde gas.

  一种含有4当量品红色图像形成聚合物偶联剂乳胶和至少一种能够与甲醛气体反应并固定的化合物的银卤化物彩色感光材料。该银卤化物彩色感光材料具有良好的膜强度和减少的层厚度。当该银卤化物彩色感光材料长时间接触甲醛气体时，可以避免颜色密度降低和雾的形成。
• Oxazolidinone combinatorial libraries, compositions and methods of preparation
  申请人：Gordeev F. Mikhail

  公开号：US20050004174A1

  公开（公告）日：2005-01-06

  Oxazolidinones and methods for their synthesis are provided. Also provided are combinatorial libraries comprising oxazolidinones, and methods to prepare the libraries. Further provided are methods of making biologically active oxazolidinones as well as pharmaceutically acceptable compositions comprising the oxazolidinones. The methods of library preparation include the attachment of oxazolidinones to a solid support. The methods of compound preparation in one embodiment involve the reaction of an iminophosphorane with a carbonyl containing polymeric support.

  本发明提供了氧杂环丙烷酮及其合成方法。还提供了包含氧杂环丙烷酮的组合化学文库以及制备这些文库的方法。此外，还提供了制备生物活性氧杂环丙烷酮的方法以及包含氧杂环丙烷酮的药学可接受组合物的方法。文库制备的方法包括将氧杂环丙烷酮附着到固体支持上。在一种实施例中，化合物制备的方法涉及将亚胺磷酰胺与含有羰基的聚合物支持物反应。
• Ligand based solution assay for low concentration analytes
  申请人：——

  公开号：US20020123085A1

  公开（公告）日：2002-09-05

  The present invention provides an assay for an analyte in solution. The assay relies, in part, on associating two catalytic activities in close proximity to each other (e.g., by conjugating each enzyme to a ligand that binds the analyte) and providing substrates that produce a colored product only when both activities are bound to the same molecule in solution.

  本发明提供了一种溶液中分析物的检测方法。该检测方法部分依赖于将两种催化活性紧密结合在一起（例如，将每种酶与结合分析物的配体结合），并提供底物，只有当两种催化活性与溶液中的同一分子结合时，底物才会产生有色产物。
• Synthesis and antimycotic activity of N-azolyl-2,4-dihydroxythiobenzamides
  作者：Joanna Matysiak、Andrzej Niewiadomy

  DOI：10.1016/s0968-0896(03)00110-x

  日期：2003.5

  N-pyrazole and N-1,2,4-triazole derivatives of 2,4-dihydroxythiobenzamide prepared from sulfinyl-bis-(2,4-dihydroxythiobenzoyl) and commercially available azole amines were tested for their antimycotic activity. The chemical structure of compounds was confirmed by IR, H-1 NMR, MS and elemental analysis. The MIC values against the reference strain Candida albicans ATCC 10231, azole-resistant clinical isolates of Candida albicans and non-Candida albicans species were determined for their potential activity in vitro. The compounds exhibited comparable or higher activity than itraconazole and fluconazole tested under the same experimental conditions. Pyrazoline derivatives showed higher activity than other analogues. The strongest fungistatic activity for N-(2,3-dimethyl-1-phenyl-1,2-dihydro-5-oxo-5H-pyrazol-4-yl)-2,4-dihydroxythiobenzamide was found with MIC values significantly lower than those for the studied drugs. (C) 2003 Elsevier Science Ltd. All rights reserved.