(E)-N-cyclopropylbut-2-enamide | 144290-27-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-N-cyclopropylbut-2-enamide
• 英文别名: (2E)-N-cyclopropylbut-2-enamide
• CAS: 144290-27-7
• 化学式: C₇H₁₁NO
• 分子量: 125.17
• InChiKey: MNRDPIJFSOZQED-NSCUHMNNSA-N

物化性质

• 熔点：
  62-64 °C
• 沸点：
  277.7±13.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-N-cyclopropylbut-2-enamide 在 四羟基二硼 、 F₂*HK 、 copper(l) chloride 、 sodium t-butanolate 、 2-(二环己基膦基)联苯 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 2.0h， 生成 potassium N-cyclopropyl-3-(trifluoroborato)butanamide
  参考文献：
  名称：

  Copper-Catalyzed β-Boration of α,β-Unsaturated Carbonyl Compounds with Tetrahydroxydiborane

  摘要：

  The copper-catalyzed beta-boration of alpha,beta-unsaturated carbonyl compounds with tetrahydroxydiborane has been developed. This diboron reagent allows direct, efficient access to boronic acids and their derivatives. Primary, secondary, and tertiary alpha,beta-unsaturated amides are converted to the corresponding beta-trifluoroboratoamides in good to excellent yields. The beta-boration of a variety of alpha,beta-unsaturated esters and ketones is also reported.

  DOI：

  10.1021/ol201900d
• 作为产物：
  描述：

  2-丁烯酰氯 、 环丙胺 在 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 以63%的产率得到(E)-N-cyclopropylbut-2-enamide
  参考文献：
  名称：

  Copper-Catalyzed β-Boration of α,β-Unsaturated Carbonyl Compounds with Tetrahydroxydiborane

  摘要：

  The copper-catalyzed beta-boration of alpha,beta-unsaturated carbonyl compounds with tetrahydroxydiborane has been developed. This diboron reagent allows direct, efficient access to boronic acids and their derivatives. Primary, secondary, and tertiary alpha,beta-unsaturated amides are converted to the corresponding beta-trifluoroboratoamides in good to excellent yields. The beta-boration of a variety of alpha,beta-unsaturated esters and ketones is also reported.

  DOI：

  10.1021/ol201900d

文献信息

• Synthesis and Suzuki-Miyaura Cross-Coupling of Enantioenriched Secondary Potassium β-Trifluoroboratoamides: Catalytic, Asymmetric Conjugate Addition of Bisboronic Acid and Tetrakis(dimethylamino)diboron to α,β-Unsaturated Carbonyl Compounds
  作者：Gary A. Molander、Steven R. Wisniewski、Mona Hosseini-Sarvari

  DOI：10.1002/adsc.201300640

  日期：2013.10.11

  Enantioenriched potassium beta-trifluoroboratoamides have been synthesized via an asymmetric, copper-catalyzed 1,4-addition of tetrahydroxydiboron (BBA) and tetrakis(dimethylamino)diboron to alpha,beta-unsaturated amides. These dibora reagents provide access to the desired organotrifluoroborates using effective and atom economical sources of boron. The copper-catalyzed beta-boration is extended to

  Enantioenriched 钾β-trifluoroboratoamides 已通过不对称、 铜催化1,4-加成四羟基二硼(BBA) 和四(二甲氨基) 二硼合成α，β-不饱和酰胺。这些二硼试剂使用有效且原子经济的硼源提供了获得所需有机三氟硼酸盐的途径。铜催化的 β-硼酸化扩展到 α,β-不饱和酮和酯。合成的有机三氟硼酸钾的产率高达 92%，对映体比例高达 98:2。当金属转移通过 SE2 机制通过开放过渡态进行时，富含对映体的 β-三氟硼酰胺钾与一系列芳基和杂芳基氯化物成功交叉偶联，具有完全立体化学保真度。
• Antiviral compounds
  申请人：HAPLOGEN GMBH

  公开号：US11091428B2

  公开（公告）日：2021-08-17

  The present invention relates to novel compounds of general formula (I) wherein the groups X, and R1 to R4 have the meanings given in the description and claims, process for preparing these compounds and their use as for treating, preventing or ameliorating viral infections and their use for treating, preventing or ameliorating diseases which are associated with PLA2G16.

  本发明涉及通式(I)的新型化合物（其中基团X和R1至R4的含义见说明书和权利要求书）、制备这些化合物的工艺及其用于治疗、预防或改善病毒感染的用途，以及用于治疗、预防或改善与PLA2G16有关的疾病的用途。
• AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0569409A1

  公开（公告）日：1993-11-18
• [EN] AMIDE DERIVATIVES AND THEIR THERAPEUTIC USE
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：WO1992012959A1

  公开（公告）日：1992-08-06

  (EN) The present invention relates to certain 3-phenyl-2-alkenamide derivatives, base salts and other physiologically functional derivatives thereof, pharmaceutical preparations containing them and the use of such compounds and preparations thereof in therapy, particularly as muscle relaxants, anxiolytics and anti-convulsants. Processes for the preparation of these 3-phenyl-2-alkenamides are also disclosed.(FR) La présente invention concerne certains dérivés de 3-phényl-2-alkénamide, des sels de base et d'autres dérivés de ceux-ci présentant une fonction physiologique, ainsi que des préparations pharmaceutiques contenant lesdits dérivés et l'utilisation en thérapie de tels composés et de préparations réalisées à partir desdits dérivés, notamment en tant que relaxants musculaires, anxiolytiques et anticonvulsivants. On décrit également les procédé de préparation desdits 3-phényl-2-alkénamides.
• [EN] RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME<br/>[FR] COMPOSÉS INHIBITEURS DE RIP1 ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2021046382A1

  公开（公告）日：2021-03-11

  Disclosed herein are kinase inhibitory compounds, such as a receptor-interacting protein-1 (RIP1) kinase inhibitor compounds, as well as pharmaceutical compositions and combinations comprising such inhibitory compounds. The disclosed compounds, pharmaceutical compositions, and/or combinations may be used to treat or prevent a kinase-associated disease or condition, particularly a RIP1-associated disease or condition.