1-(2-甲氧基吡咯烷-1-基)乙酮 | 63050-21-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-(2-甲氧基吡咯烷-1-基)乙酮
• 英文名称: N-acetyl-2-methoxypyrrolidine
• 英文别名: 1-acetyl-2-methoxypyrrolidine；1-Acetyl-2-methoxy-pyrrolidin；1-(2-methoxypyrrolidin-1-yl)ethanone
• CAS: 63050-21-5
• 化学式: C₇H₁₃NO₂
• 分子量: 143.186
• InChiKey: LCLGGVBMHSGFAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-甲氧基吡咯烷-1-基)乙酮 在 potassium fluoride 、 三氯化铝 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-(2-乙炔基-1-吡咯烷基)乙酮
  参考文献：
  名称：

  Conformationally restricted analogs of the muscarinic agent N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide

  摘要：

  Conformationally restricted analogues of the selective partial muscarinic agonist N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide (BM 5; 2) were synthesized. The compounds were tested for muscarinic and antimuscarinic activity in the isolated guinea pig ileum and in intact mice. They were found to be moderately potent muscarinic antagonists or weak partial agonists. The new compounds were less potent than 2 in inhibiting (-)-[3H]-N-methylscopolamine binding in the rate cerebral cortex. Thus, structural modifications of 2 in which part of the amide moiety has been connected with the methyl group in the butynyl chain to form a five-membered ring decrease affinity and in most cases abolish efficacy.

  DOI：

  10.1021/jm00124a022
• 作为产物：
  描述：

  Tetrahydro-pyrrolo[2,1-b]thiazol-3-one 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-(2-甲氧基吡咯烷-1-基)乙酮
  参考文献：
  名称：

  A new method for the introduction of arylthio groups at the .ALPHA.-position of alicyclic amines.

  摘要：

  已发现四环己撑-1,3,5-三嗪与芳硫醇反应生成2-芳硫基取代的脂环胺。这一新反应提供了一种有用的方法，用于在脂环胺的α-位引入芳硫基。与硫代羟乙酸反应得到双环噻唑烷衍生物，其中一些反应也有描述。

  DOI：

  10.1248/cpb.34.105

文献信息

• The Effect of Ring-Size on the Anodic Oxidation of ‘Cyclic Amides’ in Methanol
  作者：Tatiana Golub、James Y. Becker

  DOI：10.1016/j.electacta.2016.04.074

  日期：2016.7

  The anodic oxidation of three ‘cyclic amides’ of type N-acylazacycloalkanes [5- (I), 6- (II) and 7-membered (III) rings] has been studied in methanol under constant current electrolysis, at C anodes and in the presence of various supporting electrolytes, and different concentrations of substrates. Four major products were formed in good yields by all three substrates, namely N-acyl, α-azacycloalkenes

  N-酰基杂氮杂环烷烃[5-（I），6-（II）和7-元（III）的三种“环状酰胺”的阳极氧化环]已在甲醇中恒流电解，C阳极，存在各种支持电解质和不同浓度底物的条件下进行了研究。所有三个底物均以高收率形成了四个主要产物，即N-酰基，α-氮杂环烯烃，N-酰基，α-甲氧基氮杂氮杂环烷，N-酰基，α-甲氧基，α'-氮杂环烯烃和N-酰基，α，α ′-二甲氧基氮杂环烷烃。发现产物之间的相对比率和选择性在很大程度上取决于所用电解质的性质，而在较小程度上取决于底物浓度。就环大小效应而言，发现氧化速率和电流效率（产率）的顺序为：I  >  II  >  III。当使用各种支持电解质时，后两者的表现也相似（但与I不同）。
• A general method for the synthesis of indoles bearing a variety of substituents at the β-position, and its application to the synthesis of l-tryptophan
  作者：Tatsuya Shono、Yoshihiro Matsumura、Takenobu Kanazawa

  DOI：10.1016/s0040-4039(00)81629-9

  日期：1983.1

  A general synthetic method of β-substituted indoles such as indoleacetic acid, tryptamine and L-tryptophan has been exploited utilizing α-methoxylated amides, lactams, a carbamate, and sulfonamides, easily obtainable by an electrochemical method, as key intermediates.

  已经利用α-甲氧基化酰胺，内酰胺，氨基甲酸酯和磺酰胺作为关键中间体，开发了β-取代的吲哚如吲哚乙酸，色胺和L-色氨酸的一般合成方法。
• Development of an Electrolytic System for Non-Kolbe Electrolysis Based on the Acid−Base Reaction between Carboxylic Acids as a Substrate and Solid-Supported Bases
  作者：Toshiki Tajima、Hitoshi Kurihara、Toshio Fuchigami

  DOI：10.1021/ja070283w

  日期：2007.5.1

  non-Kolbe electrolysis based on the acid−base reaction between carboxylic acids as a substrate and solid-supported bases. It was found that the acid−base reaction between carboxylic acids and solid-supported bases preferentially takes place to reduce the cell voltage in MeOH. On the basis of the electrolytic system, non-Kolbe electrolysis of various carboxylic acids was carried out to provide the corresponding

  我们已经成功地开发了一种基于羧酸作为底物和固体负载碱之间的酸碱反应的非 Kolbe 电解的新型电解系统。发现羧酸和固体负载碱之间的酸碱反应优先发生以降低 MeOH 中的电池电压。在该电解系统的基础上，对各种羧酸进行非科尔伯电解，以优异的收率得到相应的甲氧基化产物。
• A new carbon—phosphorous bond forming reaction and synthesis of aminoalkylphosphonic acid derivatives
  作者：Tatsuya Shono、Yoshihiro Matsumura、Kenji Tsubata

  DOI：10.1016/s0040-4039(01)81876-1

  日期：1981.1

  A new carbon—phosphorous bond forming reaction, that is, the reaction of α-methoxyurethanes with trialkyl phosphites in the presence of Lewis acid catalysts was studied on twelve examples.

  在十二个实施例上研究了一种新的碳-磷键形成反应，即α-甲氧基氨基甲酸酯与亚磷酸三烷基酯在路易斯酸催化剂存在下的反应。
• THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS
  申请人：Han Wei

  公开号：US20090253766A1

  公开（公告）日：2009-10-08

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, L 1 , R 3 , and R 11 are as defined herein. The compounds of Formula (I) are useful as selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物：或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药，其中变量A、L1、R3和R11如本文所定义。式（I）的化合物可用作凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂，例如凝血酶、Xa因子、XIa因子、IXa因子、VIIa因子和/或血浆卡利肌酶。特别地，涉及到选择性XIa因子抑制剂的化合物。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。