1-(2-oxopropyl)-1H-pyrrole | 4805-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(2-oxopropyl)-1H-pyrrole
• 英文别名: 1-(1H-pyrrol-1-yl)propan-2-one；N-Acetonyl-pyrrol；1-[1(1H)-pyrrolyl]-2-propanone；1-pyrrol-1-ylpropan-2-one
• CAS: 4805-24-7
• 化学式: C₇H₉NO
• 分子量: 123.155
• InChiKey: YVBZZCOVACFNOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(2-propynyl)pyrrole 在 水 、 platinum(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以4%的产率得到1-(2-oxopropyl)-1H-pyrrole
  参考文献：
  名称：

  Platinum-Catalyzed Regioselective Hydration of 1-(2-Propynyl)-2-formylpyrroles

  摘要：

  The hydration reaction of 1-(2-propynyl)-2-formylpyrroles with a platinum catalyst in aqueous media is described. Various 1-(2-oxopropyl)-2-formylpyrroles were regioselectively synthesized via the platinum-promoted intramolecular 6-exo-dig cyclization pathway.

  DOI：

  10.3987/com-12-s(n)55

文献信息

• Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis
  申请人：——

  公开号：US20020006943A1

  公开（公告）日：2002-01-17

  Compounds of the formula: 1 where the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picomaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picomaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also described.

  公式为：1的化合物，在公开披露中定义的公式变量的情况下，有利地抑制或阻断了皮科玛病毒3C蛋白酶的生物活性。这些化合物以及含有这些化合物的药物组合物，可用于治疗感染一种或多种皮科玛病毒（如RVP）的患者或宿主。还描述了制备这些化合物的中间体和合成方法。
• Synthesis of functionalized indolizines via gold(<scp>i</scp>)-catalyzed intramolecular hydroarylation/aromatization of pyrrole-ynes
  作者：Xiangdong Li、Jidong Zhao、Xin Xie、Yuanhong Liu

  DOI：10.1039/c7ob02102j

  日期：——

  straightforward route to functionalized indolizines through the construction of the pyridine ring of indolizines and also allows elaboration of its pyrrole moiety with or without functional groups. In addition, a wide variety of functional groups, such as aryl, alkenyl, alkynyl, pyridyl or thienyl groups, can be easily incorporated into the pyridine unit of the indolizine products under mild conditions. The

  已经开发了金催化的吡咯炔的分子内氢化/芳构化。该方法通过吲哚嗪的吡啶环的构建为官能化的吲哚嗪提供了简明而直接的途径，并且还允许其具有或不具有官能团的吡咯部分的加工。此外，在温和条件下，很容易将各种官能团，例如芳基，烯基，炔基，吡啶基或噻吩基引入到吲哚嗪产品的吡啶单元中。吲哚嗪产品的实用性通过将其有效转化为各种C3官能化的吲哚嗪衍生物得到了证明。
• METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS
  申请人：BASF SE

  公开号：US20180186725A1

  公开（公告）日：2018-07-05

  The present invention relates to a method for the reductive amination of a carbonyl compound, comprising one or more carbonyl groups amenable to reductive amination, forming the corresponding primary amine, characterized in that the reaction is carried out in the presence of a homogeneously dissolved catalyst complex K, comprising at least one metal atom from Group 8, 9 or 10 of the periodic table, bearing a bidentate phosphane ligand, a carbonyl ligand, a neutral ligand and a hydride ligand, and also an acid as co-catalyst.

  本发明涉及一种用于还原胺化羰基化合物的方法，包括一个或多个适宜进行还原胺化的羰基团，形成相应的一级胺，其特征在于在存在均匀溶解的催化剂复合物K的条件下进行反应，所述复合物K包括来自周期表第8、9或10族的至少一个金属原子，带有双膦配体、羰基配体、中性配体和氢化物配体，以及作为辅助催化剂的酸。
• Antipicornaviral compounds and compositions, their uses, and materials for their synthesis
  申请人：——

  公开号：US20030225042A1

  公开（公告）日：2003-12-04

  Compounds of the formula: 1 where the formula variables are as defined in the disclosure, advantageously inhibit or block the biological activity of the picornaviral 3C protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with one or more picornaviruses, such as RVP. Intermediates and synthetic methods for preparing such compounds are also described.

  公式为1的化合物，在公开说明中定义的公式变量的优点下，能够有效地抑制或阻止小肠病毒3C蛋白酶的生物活性。这些化合物以及包含这些化合物的药物组合物，对于治疗感染一种或多种小肠病毒（例如RVP）的患者或宿主非常有用。还描述了制备这些化合物的中间体和合成方法。
• Method for the homogeneous catalytic reductive amination of carbonyl compounds
  申请人：BASF SE

  公开号：US10450261B2

  公开（公告）日：2019-10-22

  The present invention relates to a method for the reductive amination of a carbonyl compound, comprising one or more carbonyl groups amenable to reductive amination, forming the corresponding primary amine, characterized in that the reaction is carried out in the presence of a homogeneously dissolved catalyst complex K, comprising at least one metal atom from Group 8, 9 or 10 of the periodic table, bearing a bidentate phosphane ligand, a carbonyl ligand, a neutral ligand and a hydride ligand, and also an acid as co-catalyst.

  本发明涉及一种羰基化合物的还原胺化方法，该羰基化合物包含一个或多个适于还原胺化的羰基，形成相应的伯胺，其特征在于该反应是在均相溶解的催化剂络合物 K 的存在下进行的，该催化剂络合物 K 包含至少一个元素周期表中第 8、9 或 10 族的金属原子，带有双齿膦配体、羰基配体、中性配体和氢化物配体，还包含作为助催化剂的酸。