3-(dimethylamino)-1-(4-methylpyridin-2-yl)prop-2-en-1-one | 166196-85-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(dimethylamino)-1-(4-methylpyridin-2-yl)prop-2-en-1-one
• 英文别名: 3-Dimethylamino-1-(4-methyl-2-pyridyl)-2-propen-1-one
• CAS: 166196-85-6
• 化学式: C₁₁H₁₄N₂O
• 分子量: 190.245
• InChiKey: NLAOVWYTIVQFOL-UHFFFAOYSA-N

物化性质

• 沸点：
  317.5±42.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  3-(dimethylamino)-1-(4-methylpyridin-2-yl)prop-2-en-1-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以80%的产率得到4-methyl-2-(1H-pyrazol-3-yl)pyridine
  参考文献：
  名称：

  Modification of iridium(III) complexes for fabrication of high-performance non-doped organic light-emitting diode

  摘要：

  Four novel iridium(III) complexes containing 1,2-diphenyl-1H-benzoimidazole as cyclometalated ligands were successfully synthesized and characterized. The complexes displayed strong emissions around 492 nm with high photoluminescence quantum yields of 70-92% in dichloromethane solution at 298 K Doped OLEDs based on the complexes were prepared, which showed a peak current efficiency of 34.5 cd A(-1), power efficiency of 40.1 lm W-1. Non-doped OLEDs using the complexes as emitters were then fabricated for further investigation of their electroluminescence properties. Encouragingly, one non-doped device possessed outstanding performance with a maximum current efficiency of 19.8 cd A(-1) and power efficiency of 20.4 lm W-1 whilst simultaneously displaying low efficiency roll-off at high luminance. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2014.06.014
• 作为产物：
  描述：

  2-溴-4-甲基吡啶 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 20.0h， 生成 3-(dimethylamino)-1-(4-methylpyridin-2-yl)prop-2-en-1-one
  参考文献：
  名称：

  不对称取代的 2,2':6',2'':2'',6'''-四吡啶衍生物的二铜 (I) 螺旋中定向异构的空间控制

  摘要：

  已经制备了 2,2':6',2'':2'',6'''-四联吡啶的衍生物，它们在 4-或 6-位被烷基不对称取代，在 4' 被各种取代基不对称取代-位置。这些配体形成二铜-(I)双螺旋体，已通过 1 H 和 13 C NMR 光谱技术对其进行了研究。显示螺旋异构体的形成取决于双螺旋的组成螺旋体之间的分子内相互作用；4'-甲基取代基与配对螺旋体的 4-取代基发生空间相互作用，导致选择性适中，尽管庞大的 4-取代基会降低选择性。在不存在 4'-取代基的情况下，较小的间距允许组分螺旋体的类似 4-取代基之间的空间相互作用。在每种情况下，

  DOI：

  10.1021/ja9623626

文献信息

• SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS
  申请人：Dahmann Georg

  公开号：US20130023502A1

  公开（公告）日：2013-01-24

  The invention relates to new substituted pyridinyl-pyrimidines of formula 1 wherein ring A is a five-membered saturated or unsaturated carbocyclic ring which optionally comprises one, two or three heteroatoms each independently from each other selected from the group N, S and O, wherein R 1 , R 2 , R 4 , R 3 , R 5 and R 6 are defined as in claim 1 and wherein ring A is further optionally substituted by one or two further substituents and the pharmaceutically acceptable salts, diastereomers, enantiomers, racemates, hydrates and solvates of the aforementioned compounds.

  该发明涉及公式1中的新取代吡啶基嘧啶化合物， 其中环A是一个含有五个成员的饱和或不饱和碳环，该环可选地包含一个、两个或三个异原子，每个异原子独立地选自N、S和O组成， 其中R1、R2、R4、R3、R5和R6如权利要求书中所定义，并且环A进一步可选地被一个或两个进一步取代基取代，以及上述化合物的药用盐、二对映体、对映体、消旋体、水合物和溶剂化合物。
• [EN] SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS<br/>[FR] PYRIDINYL-PYRIMIDINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012101013A1

  公开（公告）日：2012-08-02

  The invention relates to new substituted pyridinyl-pyrimidines of formula 1 wherein ring A is a five-membered saturated or unsaturated carbocyclic ring which optionally comprises one, two or three heteroatoms each independently from each other selected from the group N, S and O, wherein R1, R2, R4, R3, R5 and R6 are defined as in claim 1 and wherein ring A is further optionally substituted by one or two further substituents and the pharmaceutically acceptable salts, diastereomers, enantiomers, racemates, hydrates and solvates of the aforementioned compounds.

  该发明涉及公式1中的新取代吡啶基嘧啶，其中环A是一个五元饱和或不饱和碳环，可选地包含一个、两个或三个异原子，每个异原子独立地选自N、S和O组，其中R1、R2、R4、R3、R5和R6如权利要求1中所定义，环A进一步可选地被一个或两个进一步取代基取代，以及上述化合物的药学上可接受的盐、二对映体、对映体、消旋体、水合物和溶剂化合物。
• Substituted pyrazolo (1,5-a)pyrimidines and their use as anxiolytic
  申请人：American Cyanamid Company

  公开号：US04281000A1

  公开（公告）日：1981-07-28

  This disclosure describes substituted pyrazolo[1,5-a]pyrimidines which possess anxiolytic activity.

  本公开说明了具有抗焦虑活性的取代嘧唑并[1,5-a]嘧啶。
• Pyridine compounds and their pharmaceutical use
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06521643B1

  公开（公告）日：2003-02-18

  A compound of formula (I) wherein each symbol is as defined in the specification, and pharmaceutically acceptable salts thereof. The compound (I) of the present invention and pharmaceutically acceptable salts thereof possess a strong inhibitory activity on the production of nitric oxide (NO), and are useful for prevention and/or treatment of NOS(nitric oxide synthasey)-mediated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, insulin-ependent diabetes mellitus, ulcerative colitis, cerebral infarction, rheumatoid arthritis, osteoarthritis, osteoporosis, systemic lupus erythematosus, rejection by organ transplantation, asthma, pain, ulcer, and the like in human being and animals.

  式（I）的化合物及其药学上可接受的盐。本发明的化合物（I）及其药学上可接受的盐具有强烈的抑制一氧化氮（NO）产生的活性，并可用于预防和/或治疗NOS（一氧化氮合酶）介导的疾病，如成人呼吸窘迫综合征、心肌炎、滑膜炎、脓毒性休克、胰岛素依赖性糖尿病、溃疡性结肠炎、脑梗塞、类风湿性关节炎、骨关节炎、骨质疏松症、全身性红斑狼疮、器官移植排斥、哮喘、疼痛、溃疡等人类和动物。
• METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS
  申请人：Fernandez Ariel

  公开号：US20130131076A1

  公开（公告）日：2013-05-23

  This application describes a novel technology in drug discovery and drug-based imaging/detection: the wrapping technology. This technology is based on identified singularities in the structure of soluble proteins. In contrast with drug-design approaches based on standard structural considerations, the packing of a protein, or more precisely, its dehydron pattern, may be used as a selectivity filter to design small-molecule inhibitors. The wrapping technology described herein is a novel form of rational drug design for avoiding side effects in drug therapy and sharpening the inhibitory impact of drugs on the oncokinome.

  该应用程序描述了一种新型的药物发现和药物成像/检测技术：包覆技术。该技术基于可溶性蛋白质结构中的特异性。与基于标准结构考虑的药物设计方法相比，蛋白质的包装，或更准确地说，其脱水模式，可以用作选择性过滤器来设计小分子抑制剂。在此描述的包覆技术是一种新型的理性药物设计形式，可避免药物治疗的副作用，并增强药物对肿瘤蛋白组的抑制作用。