tert-butyl 3-(chloromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate | 1073314-93-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: tert-butyl 3-(chloromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
• 英文别名: tert-butyl 3-(chloromethyl)-2,5-dihydropyrrole-1-carboxylate
• CAS: 1073314-93-8
• 化学式: C₁₀H₁₆ClNO₂
• 分子量: 217.696
• InChiKey: QWMWDHXSKMTVGV-UHFFFAOYSA-N

物化性质

• 沸点：
  269.5±40.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  tert-butyl 3-(chloromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate 在 sodium hydride 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 2.25h， 生成
  参考文献：
  名称：

  铑（III）通过CH活化催化合成螺哌啶衍生物

  摘要：

  螺哌啶衍生物是一类重要的生物活性分子，在温和条件下通过铑（III）催化的分子内ArC–H活化合成。该反应提供了以良好至优异的产率制备高度取代的三环螺哌啶的新颖途径。在酸性条件下，所得烯胺与侧链酰胺反应，得到具有原始四环结构的螺哌啶衍生物。

  DOI：

  10.1021/acs.joc.7b03252
• 作为产物：
  描述：

  tert-butyl allyl[2-(chloromethyl)allyl]carbamate 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以88%的产率得到tert-butyl 3-(chloromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
  参考文献：
  名称：

  2-(3-Pyrrololin-1-yl)-1,4-naphthoquinones：光活化烷基化剂

  摘要：

  报道了 2-(3-pyrrolin-1-yl)-1,4-naphthoquinones 的制备及其作为光活化烷化剂的用途。通过将相应的 3-吡咯啉与各种萘醌进行共轭加成，很容易合成标题化合物。暴露于环境室内光线后，这些化合物会发生内部氧化还原反应，形成 2-(pyrrol-1-yl)-1,4-hydroquinone，其被活化为

  DOI：

  10.1002/ejoc.200800482

文献信息

• [EN] METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE MÉTALLO-BÊTA-LACTAMASE ET LEURS MÉTHODES D'UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2019018186A1

  公开（公告）日：2019-01-24

  The present invention relates to metallo-β-lactamase inhibitor compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein Z, RA, X1, X2 and R1 are as defined herein. The present invention also relates to compositions which comprise a metallo-β-lactamase inhibitor compound of the invention or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, optionally in combination with a beta lactam antibiotic and/or a beta-lactamase inhibitor. The invention further relates to methods for treating a bacterial infection comprising administering to a patient a therapeutically effective amount of a compound of the invention, in combination with a therapeutically effective amount of one or more β-lactam antibiotics and optionally in combination with one or more beta-lactamase inhibitor compounds. The compounds of the invention are useful in the methods described herein for overcoming antibiotic resistance.

  本发明涉及具有以下结构的金属β-内酰胺酶抑制剂化合物的药物学可接受的盐，其中Z、RA、X1、X2和R1如本文所定义。本发明还涉及包含本发明的金属β-内酰胺酶抑制剂化合物或其药学上可接受的盐以及药学上可接受的载体的组合物，可选地与β-内酰胺类抗生素和/或β-内酰胺酶抑制剂结合。该发明还涉及治疗细菌感染的方法，包括向患者投予本发明化合物的治疗有效量，结合治疗有效量的一种或多种β-内酰胺类抗生素，可选地结合一种或多种β-内酰胺酶抑制剂化合物。本发明的化合物在克服抗生素耐药性的方法中具有用处。
• Synthesis of Spirocyclic Piperidines by Radical Hydroarylation
  作者：Racheal M. Spurlin、Amber L. Harris、Nathan T. Jui、Cameron J. Pratt

  DOI：10.1055/a-1315-1014

  日期：2021.1

  Reported here are conditions for the construction of spirocyclic piperidines from linear aryl halide precursors. These conditions employ a strongly reducing organic photoredox catalyst in combination with a trialkylamine reductant to achieve formation of aryl radical species. Regioselective cyclization followed by hydrogen-atom transfer affords a range of complex spiropiperidines. This system operates

  这里报告的是从线性芳基卤化物前体构建螺环哌啶的条件。这些条件采用强还原性有机光氧化还原催化剂与三烷基胺还原剂组合以实现芳基自由基物质的形成。区域选择性环化和氢原子转移提供了一系列复杂的螺哌啶。该系统在温和条件下高效运行，无需有毒试剂或贵金属。
• NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME
  申请人：KOWA COMPANY, LTD.

  公开号：US20140309207A1

  公开（公告）日：2014-10-16

  The present invention provides a novel compound represented by a general formula (1) as shown below, which has a glucokinase-activating action in the liver and pancreatic β-cells and which is useful as an agent for preventing and/or treating diseases caused by hyperglycemia, such as diabetes. A spiroindoline compound represented by the general formula (1), or a salt thereof, or a solvate of the compound or the salt: [wherein ring A represents a nitrogen-containing 5-10 membered heteroaryl group; R 1 and R 2 , which are the same or different, each represent a hydrogen atom, a halogen atom, a halo C 1-6 alkyl group, a C 6-10 aryl group, a cyano group, a C 1-6 alkyl group optionally having a substituent, a C 2-6 alkenyl group optionally having a substituent, etc.; R 3 represents a hydrogen atom, a C 1-6 alkyl group optionally having a substituent, etc.; and R 4 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group optionally having a substituent, etc.]

  本发明提供了一种新型化合物，其通式（1）如下所示，具有在肝脏和胰岛β细胞中激活葡萄糖激酶的作用，并可用作预防和/或治疗由高血糖引起的疾病，如糖尿病的药物。该通式（1）表示的螺环吲哚化合物，或其盐，或化合物或盐的溶剂：[其中环A代表含氮的5-10成员杂环基；R1和R2，相同或不同，分别代表氢原子，卤原子，卤代C1-6烷基，C6-10芳基，氰基，C1-6烷基，可选取代基，C2-6烯基，可选取代基等；R3代表氢原子，C1-6烷基，可选取代基等；R4代表氢原子，卤原子，C1-6烷基，可选取代基等。]
• Spiroindoline compound, and medicinal agent comprising same
  申请人：Kowa Company, Ltd.

  公开号：US08921576B2

  公开（公告）日：2014-12-30

  The present invention provides a novel compound represented by a general formula (1) as shown below, which has a glucokinase-activating action in the liver and pancreatic β-cells and which is useful as an agent for preventing and/or treating diseases caused by hyperglycemia, such as diabetes. A spiroindoline compound represented by the general formula (1), or a salt thereof, or a solvate of the compound or the salt: [wherein ring A represents a nitrogen-containing 5-10 membered heteroaryl group; R1 and R2, which are the same or different, each represent a hydrogen atom, a halogen atom, a halo C1-6 alkyl group, a C6-10 aryl group, a cyano group, a C1-6 alkyl group optionally having a substituent, a C2-6 alkenyl group optionally having a substituent, etc.; R3 represents a hydrogen atom, a C1-6 alkyl group optionally having a substituent, etc.; and R4 represents a hydrogen atom, a halogen atom, a C1-6 alkyl group optionally having a substituent, etc.]

  本发明提供了一种新型化合物，其通式（1）如下所示，具有在肝脏和胰岛β细胞中激活葡萄糖激酶的作用，并且可用作预防和/或治疗由高血糖引起的疾病，如糖尿病的药物。通式（1）表示的螺内酰胺化合物，或其盐，或化合物或盐的溶剂:[其中，环A表示含氮的5-10成员杂环基；R1和R2，它们相同或不同，每个表示氢原子，卤原子，卤代C1-6烷基，C6-10芳基，氰基，可选有取代基的C1-6烷基，可选有取代基的C2-6烯基等；R3表示氢原子，可选有取代基的C1-6烷基等；R4表示氢原子，卤原子，可选有取代基的C1-6烷基等。]
• 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors
  申请人：Eli Lilly and Company

  公开号：US10253041B2

  公开（公告）日：2019-04-09

  Phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds of Formula I, formulations containing those compounds, and their use as mutant isocitrate dehydrogenase 1 enzyme inhibitors.

  式 I 的苯乙基氨基-4H-嘧啶并[4,5-d][1,3]恶嗪-2-酮化合物、含有这些化合物的制剂，以及它们作为突变型异柠檬酸脱氢酶 1 酶抑制剂的用途。