5-oxo-3-methyl-1-p-tolyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde | 52173-03-2

• 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: 5-oxo-3-methyl-1-p-tolyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde
• 英文别名: 1-(4-methylphenyl)-3-methyl-4-formyl-2-pyrazolin-5-one；5-hydroxy-3-ethyl-1-p-tolyl-1H-pyrazole-4-carbaldehyde；5-methyl-3-oxo-2-p-tolyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde；3-methyl-1-(4-methylphenyl)-5-oxo-4,5-dihydropyrazole-4-carbaldehyde；3-Methyl-5-oxo-1-(p-tolyl)-4,5-dihydro-1h-pyrazole-4-carbaldehyde；3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazole-4-carbaldehyde
• CAS: 52173-03-2
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: NOGXLNSDDOXIGP-UHFFFAOYSA-N

物化性质

• 熔点：
  173-174 °C(Solv: 1,4-dioxane (123-91-1))
• 沸点：
  419.6±45.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-oxo-3-methyl-1-p-tolyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成
  参考文献：
  名称：

  铁（III）的席夫碱吡唑啉酮配合物：合成，表征，抗菌和抗氧化活性

  摘要：

  合成了一系列新颖的席夫碱四齿配体及其铁（III）配位化合物，表征并评估了其抗菌和抗氧化活性。所有合成的配体和配合物通过光谱和晶体学技术进行表征。电子光谱，Mössbauer光谱，磁矩和电导研究证明了铁（III）周围的八面体排列的事实。体外抗菌席夫碱复合物具有极性和非极性性质。这使它们适合渗透到细胞和组织中，增强了对细菌的活性。用DPPH（2，2′-二苯基-2-吡啶基肼基）测量抗氧化性能。这些特性归因于配体的独特特征，例如最高的亲脂性，

  DOI：

  10.1007/s00044-016-1649-0
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 1-(4-甲基苯基)-3-甲基-5-吡唑啉酮 在 三氯氧磷 作用下， 生成 5-oxo-3-methyl-1-p-tolyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde
  参考文献：
  名称：

  吡唑啉酮作为识别位点：基于罗丹明6G的荧光探针，可选择性识别乙腈水溶液中的Fe3 +

  摘要：

  设计并合成了两种新颖的基于罗丹明-吡唑酮的Fe 3+离子比色荧光化学传感器，并以吡唑啉酮作为识别基团和罗丹明6G作为信号传导基团进行了合成。还研究了传感器L 1和L 2在乙腈水溶液中的光物理性质和Fe 3+结合性质。两种传感器均对Fe 3+表现出明显的“开启”响应，这归因于Fe 3+与L 1 / L 2之间形成1：2的络合物。对Fe 3+的荧光和比色反应可以用肉眼检测到，这提供了一种简便的方法来目测Fe 3+。版权所有©2014 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/bio.2709

文献信息

• Quinazolin-4-one derivatives
  申请人：Itai Akiko

  公开号：US20060229324A1

  公开（公告）日：2006-10-12

  A medicament having an inhibitory activity against hematopoietic prostaglandin D2 synthase, which comprises as an active ingredient a compound represented by the following general formula (I) or a salt thereof: wherein X represents a group represented by the formula —N═C(R 5 )— or the formula —NH—CH(R 5 )—, R 1 , R 2 , R 3 , and R 4 represent a hydrogen atom, a halogen atom, a C 1 to C 6 alkyl group, or a hydroxy group, R 5 represents a C 1 to C 6 alkyl group or a C 6 to C 10 aryl group, and R represents an amino group.

  一种具有对造血前列腺素D2合成酶抑制活性的药物，其包括以下一般式（I）所代表的化合物或其盐作为活性成分： 其中X代表由式—N═C(R5)—或式—NH—CH(R5)—所代表的基团，R1、R2、R3和R4代表氢原子、卤原子、C1到C6烷基或羟基，R5代表C1到C6烷基或C6到C10芳基，R代表氨基。
• C₃ symmetric vanadium(<scp>iii</scp>) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone
  作者：Sanjay Parihar、R. N. Jadeja、Vivek K. Gupta

  DOI：10.1039/c4ra04021j

  日期：——

  Novel C₃ symmetric vanadium(iii) complexes of tripodal ligands of pyrazolones were synthesized and characterized by various spectroscopic and analytical techniques including single crystal XRD.

  用三足配体的吡唉酮合成了对称的Novel C3钒(III)配合物，并通过各种光谱和分析技术进行了表征，包括单晶XRD。
• Synthesis, spectral, crystallography and thermal investigations of novel Schiff base complexes of manganese (III) derived from heterocyclic β-diketone with aromatic and aliphatic diamine
  作者：Kiran R. Surati、B.T. Thaker

  DOI：10.1016/j.saa.2009.10.018

  日期：2010.1

  4-(4-formyl-5-oxo-3-methyl-pyrazol-1-yl)-benzenesulfonic acid and o-phenylenediamine or ethylenediamine. And these are characterized by elemental analysis, FT-IR, (1)H NMR and GC-MS. The corresponding Schiff base complexes of Mn(III) were prepared by condensation of [Mn(3)(mu(3)-O)(OAc)(6)(H(2)O)(3)].3H(2)O with ligands H(2)L(1), H(2)L(2), H(2)L(3) and H(2)L(4). All these complexes have been characterized by

  席夫碱四齿配体N，N-双-（3,5-二甲基-1-对甲苯基-1H-吡唑-4-基亚甲基）-乙烷-1,2-二胺（H（2）L（1）） ，N，N-双-（3,5-二甲基-1-对磺酰基-1H-吡唑-4-基亚甲基）乙烷-1,2-二胺（H（2）L（2）），N，N -双-（3,5-二甲基-1-对甲苯基-1H-吡唑-4-基亚甲基）-苯1,2-二胺（H（2）L（3））和N，N-双-（ 3,5-二甲基-1-对磺酰基-1H-吡唑-4-基亚甲基）-苯1,2-二胺（H（2）L（4））是由5-氧代-3-甲基-1-对甲苯基-1H-吡唑-4-甲醛或4-（4-甲酰基-5-氧代-3-甲基-吡唑-1-基）-苯磺酸和邻苯二胺或乙二胺。并通过元素分析，FT-IR，（1）H NMR和GC-MS对其进行表征。通过[Mn（3）（mu（3）-O）（OAc）（6）（H（2）O）（3）]。3H（2）的缩合制备相应的Mn（III）席夫碱配合物带配体H
• New Liquid Crystalline Compounds Involving Ester-Chalcone Linkages Having 1,3,5-Trisubstituted Pyrazole as a Terminal Group
  作者：B. T. Thaker、D. M. Patel、J. B. Kanojiya

  DOI：10.1080/15421400903065549

  日期：2009.9.3

  Mesogens with chalcone central linkage are rare. It has been observed that -CO-CH=CH- linkage is less conducive to mesomorphism compared to -CH=N-(azomethine), -COO- (ester), -N=-(azo) linkages due to the non linearity and angle strain arising from the keto group. But when -CO-CH=CH- linkage is present with other central linkages it becomes condusive to mesomorphism. In the present investigation two homologous series were synthesized having chalcone as a one of the central linkage. The homologous series have been derived from 1,3,5-trisubstituted pyrazole, p-hydroxy acetophenone, and alkoxy acid. Viz. 4(4 '-n-alkoxybenzoloxy) phenyl-propane-3-one(1-phenyl-3-methyl-2-pyrazoline-5-one) [series-I] and 4(4 '-n-alkoxybenzoloxy) phenyl-propane-3-one(1-phenyl(4 ''-methyl)-3-methyl-2-pyrazoline-5-one) [series-II]. The compounds of the both series have been characterized by elemental analyses, FT-IR, H-1-NMR, and Mass spectrometry methods. Their liquid crystalline properties have been investigated by optical polarizing microscopy and DSC studies. All the derivatives are mesomorphic in nature. C-1 to C-5 of both the series exhibit only nematic phase. C-6 to C-8 in series-I and C-7 & C-8 in series-II exhibit smectic as well as nematic phase. Whereas C-10-C-16 in series-I and C-8-C-16 in series-II showing only smectic phase.
• New Liquid Crystalline Compound with 1, 3, 5- Trisubstituted Pyrazole in the Mesogenic Core: Synthesis, Characterization and Mesomorphic Behavior
  作者：B. T. Thaker、A. D. Vansadia、Pranay Patel

  DOI：10.1080/15421400701739436

  日期：2007.12.4