(Z)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one | 75415-00-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one
• 英文别名: 3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one；3-(dimethylamino)-1-(2-pyridinyl)-2-propen-1-one；1-(2'-pyridyl)-3-dimethylamino-2-propen-1-one；(Z)-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
• CAS: 75415-00-8
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: BWERGHWJEBQNQV-VURMDHGXSA-N

物化性质

• 沸点：
  281.4±36.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one 在 盐酸 、 potassium carbonate 作用下， 以 乙二醇甲醚 为溶剂， 反应 25.5h， 生成 (3-Aminophenyl)-(4-pyridin-2-yl-pyrimidin-2-yl)-amine
  参考文献：
  名称：

  Preparation of substituted N-phenyl-4-aryl-2-pyrimidinamines as mediator release inhibitors

  摘要：

  The role of immunologically released mediators, such as histamine, leukotrienes, and platelet-activating factor, is well-established for asthma and other allergic disorders. Developing therapeutic agents which would block mediator release from mast cells and other relevant cell types would provide a rational approach to asthma therapy. Using human basophil as a screen, a series of 4-aryl-2-(phenylamino)pyrimidines was found which inhibited mediator release. These compounds were prepared by condensing acetyl heterocycles with dimethylformamide dimethyl acetal to form enaminones which are cyclized with aryl guanidines to give pyrimidines. After examining a large number of analogs, N-[3-(1H-imidazol-1-yl)phenyl]-4-(2-pyridinyl)-2-pyrimidinamine (1-27) was chosen for toxicological evaluation.

  DOI：

  10.1021/jm00071a002
• 作为产物：
  描述：

  2-乙酰基吡啶 、 N,N-二甲基甲酰胺二甲基缩醛 反应 16.0h， 以65%的产率得到(Z)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one
  参考文献：
  名称：

  新的三脚架配体三-[3-（2'-吡啶基）吡唑-1-基]氢硼酸酯的合成及其euro（III）配合物的晶体结构

  摘要：

  新的三足配体三- [3-（2'-吡啶基）吡唑-1-基]硼氢化（L - ），包括三个Ñ，Ñ通过心尖硼原子连接-bidentate螯合臂，已经合成; [EuL（MeOH）2 F] [PF 6 ]的晶体结构揭示了六齿配体腔内的九配位金属。

  DOI：

  10.1039/c39940002751

文献信息

• A copper complex bearing a TEMPO moiety as catalyst for the aerobic oxidation of primary alcohols
  作者：Zhengliang Lu、José Sánchez Costa、Olivier Roubeau、Ilpo Mutikainen、Urho Turpeinen、Simon J. Teat、Patrick Gamez、Jan Reedijk

  DOI：10.1039/b802109k

  日期：——

  observed as well for the conversion of the non-activated alkyl alcohol octan-1-ol to octanal with a yield of 29% after the same reaction time. The single-crystal X-ray structure of 8 shows that its crystal lattice contains [Cu(I)Br(2)](-) anions which appear to be stabilised by means of both anion-pi and hydrogen bonding interactions. In addition, the solid state structure of 8 exhibits (lone-pair)-pi

  设计了一种新的双功能，基于三嗪的配体，目的是生成一个具有TEMPO（2,2,6,6-四甲基哌啶基氧基）部分的铜（II）配合物。由配体4-（2-（3-（吡啶-2-基）-1H-吡唑-1-基）乙氧基）-6-（4-氨基-2,2,6,6-四甲基管）获得的配位化合物吡啶-1-氧基）-N，N-二苯基-1,3,5-三嗪-2-胺（pypzt-1）和溴化铜（II）（即络合物8）能够催化对苯氧的选择性好氧氧化在24小时内将苄醇转化为84％的苯甲醛。铜/ TEMPO配合物的这种“半乳糖氧化酶活性”在未反应的烷基醇octan-1-ol在相同反应时间后以29％的产率转化为辛醛时也观察到。8的单晶X射线结构表明，其晶格包含[Cu（I）Br（2）]（-）阴离子，这些阴离子似乎通过阴离子pi和氢键相互作用而得以稳定。另外，8的固态结构在乙腈分子的氮原子和三嗪环之间表现出（孤对）-pi相互作用。通过EPR和磁化率测量研究了8的磁性能。
• Oxazolidinone Compounds and Their Uses in Preparation of Antibiotics
  申请人：Luo Youfu

  公开号：US20140142144A1

  公开（公告）日：2014-05-22

  The invention belongs to the field of medicaments, and particularly relates to oxazolidinone compounds and their uses in the preparation of antibiotics. A technical problem to be solved by the invention is to provide new oxazolidinone compounds having the structure represented by Formula I. The oxazolidinone compounds of the invention, which are new compounds obtained through numerous screening, have significant antibacterial activity against bacteria such as drug-resistant staphylococcus aureus , fecal coliform bacteria, and streptococcus pneumoniae , while exhibiting low toxicity. The invention provides new options for the development and application of antibiotics.

  这项发明属于药物领域，特别涉及噁唑烷酮化合物及其在抗生素制备中的用途。该发明要解决的技术问题是提供具有由式I表示的结构的新噁唑烷酮化合物。该发明的噁唑烷酮化合物是通过大量筛选获得的新化合物，对耐药性金黄色葡萄球菌、粪大肠杆菌和肺炎链球菌等细菌具有显著的抗菌活性，同时毒性低。该发明为抗生素的开发和应用提供了新选择。
• Pyrazole‐Based Ligands for the [Copper–TEMPO]‐Mediated Oxidation of Benzyl Alcohol to Benzaldehyde and Structures of the Cu Coordination Compounds
  作者：Jorge Salinas Uber、Yorick Vogels、Dave van den Helder、Ilpo Mutikainen、Urho Turpeinen、Wen Tian Fu、Olivier Roubeau、Patrick Gamez、Jan Reedijk

  DOI：10.1002/ejic.200700424

  日期：2007.9

  pyrazole-based ligands have been designed, and the catalytic performances of their copper(II) complexes for the [copper/TEMPO]-mediated oxidation of benzyl alcohol to benzaldehyde have been examined. The pyridine-pyrazole ligands give efficient catalysts, while the use of naphthol-pyrazole ligands results in inactive catalytic systems. Single-crystals of four Cu coordination compounds obtained from

  已经设计了新的基于吡唑的配体，并研究了它们的铜 (II) 配合物对 [铜/TEMPO] 介导的苯甲醇氧化成苯甲醛的催化性能。吡啶-吡唑配体提供有效的催化剂，而萘酚-吡唑配体的使用导致催化体系失活。从吡啶-吡唑配体和游离配体获得的四种铜配位化合物的单晶已被分离出来，并通过 X 射线衍射进行了表征。因此，描述了三种铜 (II) 配合物的固态结构，连同铜 (I) 配位链，表现出发光特性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• The rhodium and iridium co-ordination chemistry of the hemilabile hybrid ligand 1-(2′-pyridyl)-3-dimethylamino-2-propen-1-one
  作者：Ana P Martı́nez、Marı́a P Garcı́a、Fernando J Lahoz、Luis A Oro

  DOI：10.1016/s0020-1693(02)01449-4

  日期：2003.4

  O ligand to CH2Cl2 solutions of [MCl(diolefin)}2] leads to the ion-pair complexes [M(diolefin)(N,O)][MCl2(diolefin)] (M=Rh or Ir; diolefin=1,5-cyclooctadiene, COD, or tetrafluorobenzo-bicyclo(2,2,2)octatriene, TFB). The complexes have been characterised by analytical and spectroscopic data, their configuration has been confirmed by COSY and NOESY experiments and the structure of [Rh(COD)(N,O)][RhCl2(COD)]

  式[M（L 2）（N，O）] CF 3 SO 3 [M = Rh或Ir; L 2＝二烯烃，（CO）2或（CO）（PPh 3）；制备了N，O ＝ 1-（（2′-吡啶基）-3-二甲基氨基-2-丙烯-1-酮]。N，O杂化配体通过酮氧和吡啶氮配位为作为二齿螯合基团的金属。还研究了这些络合物对卤素，碘甲烷或三氟甲磺酸的氧化加成反应以提供八面体铑（III）或铱（III）物种的反应性。将N，O配体添加到[MCl（di烯烃）} 2的CH 2 Cl 2溶液中]导致离子对络合物[M（二烯烃）（N，O）] [MCl 2（二烯烃）]（M = Rh或Ir;二烯烃= 1,5-环辛二烯，COD或四氟苯并双环（2， 2,2）辛三烯，TFB）。配合物已通过分析和光谱数据表征，其构型已通过COZY和NOESY实验确认，[Rh（COD）（N，O）] [RhCl 2（COD）]的结构已通过X-射线衍射研究。
• Oxazolidinone compounds and their uses in preparation of antibiotics
  申请人：Luo Youfu

  公开号：US08946436B2

  公开（公告）日：2015-02-03

  The invention belongs to the field of medicaments, and particularly relates to oxazolidinone compounds and their uses in the preparation of antibiotics. A technical problem to be solved by the invention is to provide new oxazolidinone compounds having the structure represented by Formula I. The oxazolidinone compounds of the invention, which are new compounds obtained through numerous screening, have significant antibacterial activity against bacteria such as drug-resistant staphylococcus aureus, fecal coliform bacteria, and streptococcus pneumoniae, while exhibiting low toxicity. The invention provides new options for the development and application of antibiotics.

  本发明属于药物领域，特别涉及氧唑啉酮化合物及其在抗生素制备中的用途。该发明要解决的技术问题是提供具有式I所表示结构的新型氧唑啉酮化合物。该发明的氧唑啉酮化合物是通过大量筛选获得的新化合物，对于耐药性金黄色葡萄球菌、粪肠球菌和肺炎链球菌等细菌具有显著的抗菌活性，同时毒性较低。该发明为抗生素的开发和应用提供了新的选择。