2,3-dihydro-5-methyl-2-(2-nitrophenyl)-3-pyrazolone | 40339-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-dihydro-5-methyl-2-(2-nitrophenyl)-3-pyrazolone
• 英文别名: 5-methyl-2-(2-nitrophenyl)-2,4-dihydropyrazol-3-one；5-methyl-2-(2-nitro-phenyl)-1,2-dihydro-pyrazol-3-one；3-methyl-1-(2-nitrophenyl)-3-pyrazolin-5-one；5-Methyl-2-(2-nitrophenyl)-2,4-dihydro-3h-pyrazol-3-one；5-methyl-2-(2-nitrophenyl)-4H-pyrazol-3-one
• CAS: 40339-61-5
• 化学式: C₁₀H₉N₃O₃
• mdl: MFCD00543236
• 分子量: 219.2
• InChiKey: LXVPWFPCEPQDAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  83-84 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  418.0±28.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  反式硝基苯乙烯 、 2,3-dihydro-5-methyl-2-(2-nitrophenyl)-3-pyrazolone 在 C₃₀H₃₁N₃O₂ 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Enantioselective Syntheses of C₂-Symmetric Pyrazolones and Diones via One-Pot Organo-/Iodine Sequential Catalysis

  摘要：

  DOI：

  10.1021/acs.orglett.1c02330
• 作为产物：
  描述：

  ethyl (3E)-3-[(2-nitrophenyl)hydrazinylidene]butanoate 生成 2,3-dihydro-5-methyl-2-(2-nitrophenyl)-3-pyrazolone
  参考文献：
  名称：

  WRZECIONO U.; JOBKE E., ACTA POL. PHARM. 1978, 35, NO 6, 629-637

  摘要：

  DOI：

文献信息

• Synthesis of 2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>b</i>]pyrazoles
  作者：Kurt Pilgram

  DOI：10.1002/jhet.5570170713

  日期：1980.11

  Two novel 2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives 7 and 8 have been prepared by hydrazinolysis with 2,4-dinitrophenylhydrazine of 1-(benzylideneamino)-2-(2-ethoxycarbonyl-2-nitromethylidene)-imidazolidine 4. The precursor 4 was conveniently prepared from ethyl nitroacetate and 1-(benzylidene-amino)-2-(methylthio)imidazoline 3. Two examples are presented in which ethyl aceto(and trifluoroaceto)acetate

  通过与1-（苄基亚氨基）-2-（2-乙氧基羰基-2）的2,4-二硝基苯肼进行肼解反应，制备了两种新颖的2,3-二氢-1 H-咪唑并[1,2- b ]吡唑衍生物7和8。 -硝基亚甲基）-咪唑烷4。前体4方便地由硝基乙酸乙酯和1-（亚苄基-氨基）-2-（甲硫基）咪唑啉3制备。给出了两个实例，其中两个都具有β-肼基丙烯酸酯排列的乙酰乙酸乙酯（和三氟乙酰）乙酸乙酯2-硝基苯基-吡喃酮9和10在含有盐酸的乙醇中回流，从而转化为吡唑啉酮在图11和图12中，分别为吡唑13和14以及酮2-硝基苯基phenyl唑酮15和16。
• Novel Aromatic AZA Heterocycles, Method of Production and Use of the Material in Organic Electronics
  申请人：Adler Jürgen

  公开号：US20090318691A1

  公开（公告）日：2009-12-24

  An electron transport material based on fused aromatic electron-deficient compounds. The accumulation of aromatic rings with an electron deficiency allows free-radical anions to be stabilized very efficiently in these systems.

  一种基于融合芳香族电子缺陷化合物的电子传输材料。在这些系统中，芳香环的积累具有电子亏损，使得自由基阴离子能够非常有效地被稳定。
• Hydrazinonaphthalene and Azonaphthalene Thrombopoietin Mimics Are Nonpeptidyl Promoters of Megakaryocytopoiesis
  作者：Kevin J. Duffy、Michael G. Darcy、Evelyne Delorme、Susan B. Dillon、Daniel F. Eppley、Connie Erickson-Miller、Leslie Giampa、Christopher B. Hopson、Yifang Huang、Richard M. Keenan、Peter Lamb、Lynnette Leong、Nannan Liu、Stephen G. Miller、Alan T. Price、Jon Rosen、Rakhi Shah、Tony N. Shaw、Heather Smith、Kenneth C. Stark、Shin-Shay Tian、Curtis Tyree、Kenneth J. Wiggall、Lily Zhang、Juan I. Luengo

  DOI：10.1021/jm010283l

  日期：2001.10.1

  High-throughput screening for the induction of a luciferase reporter gene in a thrombopoietin (TPO)-responsive cell line resulted in the identification of 4-diazo-3-hydroxy-1-naphthalene-sulfonic acids as TPO mimics. Modification of the core structure and adjustment of unwanted functionality resulted in the development of (5-oxo-1,5-dihydropyrazol-4-ylidene)hydrazines which exhibited efficacies equivalent to those of TPO in several cell-based assays designed to measure thrombopoietic activity. Furthermore, these compounds elicited biochemical responses in TPO-receptor-expressing cells similar to those in TPO itself, including kinase activation and protein phosphorylation. Potencies for the best compounds were high for such low molecular weight compounds (MW < 500) with EC50 values in the region of 1-20 nM.
• Solid‐Phase Synthesis of Substituted Pyrazolones from Polymer‐Bound β‐Keto Esters
  作者：Lutz F. Tietze、Holger Evers、Thomas Hippe、Adrian Steinmetz、Enno Töpken

  DOI：10.1002/1099-0690(200105)2001:9<1631::aid-ejoc1631>3.0.co;2-#

  日期：2001.5
• WRZECIONO U.; JOBKE E., ACTA POL. PHARM. 1978, 35, NO 6, 629-637
  作者：WRZECIONO U.、 JOBKE E.

  DOI：——

  日期：——