4-thiophen-3-ylbutan-2-one | 65857-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 4-thiophen-3-ylbutan-2-one
• 英文别名: 4-thiphene-3-ylbutan-2-one；4-thiophen-3-yl-butan-2-one；4-(3'-Thienyl)-butan-2-on；4-(3-Thienyl)-butan-2-on；4-(Thiophen-3-yl)butan-2-one
• CAS: 65857-53-6
• 化学式: C₈H₁₀OS
• mdl: MFCD12103156
• 分子量: 154.233
• InChiKey: RZIOPNWLBZGHAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丁烯酮 、 3-噻吩三氟硼酸钾 在 acetylacetonatodicarbonylrhodium(l) 1,4-双(二苯基膦)丁烷 作用下， 以 甲醇 、 水 为溶剂， 反应 16.0h， 以100%的产率得到4-thiophen-3-ylbutan-2-one
  参考文献：
  名称：

  Potassium Alkenyl- and Aryltrifluoroborates:  Stable and Efficient Agents for Rhodium-Catalyzed Addition to Aldehydes and Enones

  摘要：

  [GRAPHICS]Potassium alkenyl- and aryltrifluoroborates undergo addition to enones and aldehydes in the presence of Rh(1) catalysts to give beta-functionalized ketones and allylic/benzylic alcohols, respectively. Reaction proceeds more rapidly than with the corresponding boronic acids, and the choice of phosphine ligand does not signifcantly influence the overall efficiency of addition.

  DOI：

  10.1021/ol9910767

文献信息

• Nickel Catalyzed Electrochemical Heteroarylation of Activated Olefins
  作者：Sylvie Condon、Daniel Dupré、Isabelle Lachaise、Jean-Yves Nédélec

  DOI：10.1055/s-2002-33654

  日期：——

  Conjugate addition reaction of heteroaryl halides to activated olefins has been successfully achieved by nickel catalysis combined with the consumable anode procedure and provides access to various functionalized hetertoaryl compounds with potential biological activity.

  杂芳基卤化物与活化烯烃的共轭加成反应已通过镍催化结合自耗阳极程序成功实现，并提供了获得具有潜在生物活性的各种功能化杂芳基化合物的途径。
• Heck-type coupling vs. conjugate addition in phosphine–rhodium catalyzed reactions of aryl boronic acids with α,β-unsaturated carbonyl compounds: a systematic investigation
  作者：Gang Zou、Jianping Guo、Zhiyong Wang、Wen Huang、Jie Tang

  DOI：10.1039/b615473e

  日期：——

  Heck-type coupling and conjugate addition by synergistically tuning the supporting ligand, the boronic acid to olefin ratio and other reaction conditions. Conjugate addition with selectivity >99% and Heck-type coupling with selectivity of up to 100%, 98% and 84% for acrylates, acrylamides and methyl vinyl ketone, respectively, could be achieved in the rhodium-catalyzed reactions of aryl boronic acids

  在甲苯-H（2）O双相系统中，已系统研究了膦-铑催化的芳基硼酸与α，β-不饱和羰基的反应中的Heck型偶联和共轭加成之间的竞争。除了铑的内在性质和羰基的烯醇化之外，发现铑上的膦支持配体，芳基硼酸与α，β-不饱和羰基的比例以及水相的pH值均显着影响竞争。因此，已经通过协同调节载体配体，硼酸与烯烃的比例和其他反应条件，开发了用于Heck型偶联和共轭物加成的高选择性铑基催化剂体系。共轭添加的选择性> 99％，Heck型偶联的选择性高达100％，
• [EN] NEW 4,6-DISUBSTITUTED 2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, THEIR USE, A METHOD FOR MODULATING MONOAMINERGIC RECEPTOR ACTIVITY AND A MONOAMINERGIC RECEP<br/>[FR] DÉRIVÉS INÉDITS DE LA 2-(4-MÉTHYLPIPÉRAZIN-1-YL)PYRIDINE 4,6-DISUBSTITUÉS, LEUR PROCÉDÉ DE PRÉPARATION, COMPOSITIONS PHARMACEUTIQUES EN CONTENANT, LEUR UTILISATION, PROCÉDÉ DE MODULATION DE L'ACTIVITÉ DES RÉCEPTEURS MONOAMINERGIQUES ET AGENT MODULANT
  申请人：INST FARMAKOLOGII POLSKIEJ AKA

  公开号：WO2010053388A1

  公开（公告）日：2010-05-14

  The subjects of the invention are new 4,6-disubstituted 2-(4-methylpiperazin-1-yl)pyridine derivatives, a process for their preparation, pharmaceutical composition containing these compounds, their use, a method for modulating brain monoaminergic receptor activity and a monoaminergic receptor modulating agent. The invention relates to new chemical compounds, 2-(4-methylpiperazin-1-yl)pyridine derivatives, enantiomers thereof or a mixture of its enantiomers or their pharmaceutically permissible prodrugs and salts, pharmaceutical compositions containing these compounds, and methods of using any of these derivatives and compositions for the prevention or treatment of neurological or psychiatric diseases, especially related with the modulation or regulation of brain monoaminergic receptors such as serotonin receptors, preferably receptors selected from the group of: 5-HT6, 5-HT2A, 5-HT7, dopamine receptors, preferably D2 and adrenergic receptors, preferably α. These new compounds can be used for treating central nervous system diseases.

  本发明的主题是新的4,6-二取代2-(4-甲基哌嗪-1-基)吡啶衍生物，其制备方法，包含这些化合物的药物组合物，它们的用途，一种调节脑单胺受体活性的方法和单胺受体调节剂。本发明涉及新的化学化合物，即2-(4-甲基哌嗪-1-基)吡啶衍生物，其对映体或其对映体的混合物或其药学上可接受的前药和盐，包含这些化合物的药物组合物，以及使用任何这些衍生物和组合物预防或治疗神经系统或精神疾病的方法，特别是与调节或调控脑单胺受体，如5-HT6、5-HT2A、5-HT7、多巴胺受体，优选D2和肾上腺素受体，优选α有关的疾病。这些新化合物可用于治疗中枢神经系统疾病。
• [EN] DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS<br/>[FR] DIAMINOPYRIMIDINES UTILISEES EN TANT QU'ANTAGONISTES DE P2X3 ET P2X2/3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005095359A1

  公开（公告）日：2005-10-13

  Compounds and methods for treating diseases mediated by a P2X3 and/or a P2X2/3 receptor antagonists, the methods comprising administering to a subject in need thereof an effective amount of a compound of formula (I) or a pharmaceutically acceptable salt, solvate or prodrug thereof, wherein D, X, Y, R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein.

  本发明涉及用于治疗由P2X3和/或P2X2/3受体拮抗剂介导的疾病的化合物和方法，所述方法包括向需要治疗的受体中给予公式（I）的化合物或其药学上可接受的盐、溶剂或前药的有效量，其中D、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。
• TAMARU Y.; YAMADA Y.; YOSHIDA Z., TETRAHEDRON, 1979, 35, NO 3, 329-340
  作者：TAMARU Y.、 YAMADA Y.、 YOSHIDA Z.

  DOI：——

  日期：——