4-methoxycarbonyl-1-(2-oxopropyl)-1H-imidazole-5-carboxylic acid | 872874-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-methoxycarbonyl-1-(2-oxopropyl)-1H-imidazole-5-carboxylic acid
• 英文别名: 4-(Methoxycarbonyl)-1-(2-oxopropyl)-1H-imidazole-5-carboxylic acid；5-methoxycarbonyl-3-(2-oxopropyl)imidazole-4-carboxylic acid
• CAS: 872874-41-4
• 化学式: C₉H₁₀N₂O₅
• mdl: MFCD14282139
• 分子量: 226.189
• InChiKey: ZJTIALYNDQDPTI-UHFFFAOYSA-N

物化性质

• 沸点：
  494.2±40.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-methoxycarbonyl-1-(2-oxopropyl)-1H-imidazole-5-carboxylic acid 在 sodium hydroxide 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 N-cyclohexyl-6,7-dimethyl-8-oxo-1-[(4-phenylpiperazin-1-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-6-carboxamide
  参考文献：
  名称：

  通过四组分 Ugi 反应的改进合成含有 5-氨基甲酰基吡嗪-3-one 片段的退火氮杂杂环

  摘要：

  描述了通过四组分 Ugi 缩合的新型修饰，方便合成新型咪唑和吡咯稠合的 1-oxo-1,2,3,4-四氢吡嗪杂环结构。证明了所开发的各种取代化合物合成方法的实用性和多功能性，并讨论了所涉及化学的范围和局限性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejoc.200500522
• 作为产物：
  描述：

  dimethyl 1-(2-oxopropyl)-1H-imidazole-4,5-dicarboxylate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以50%的产率得到4-methoxycarbonyl-1-(2-oxopropyl)-1H-imidazole-5-carboxylic acid
  参考文献：
  名称：

  通过四组分 Ugi 反应的改进合成含有 5-氨基甲酰基吡嗪-3-one 片段的退火氮杂杂环

  摘要：

  描述了通过四组分 Ugi 缩合的新型修饰，方便合成新型咪唑和吡咯稠合的 1-oxo-1,2,3,4-四氢吡嗪杂环结构。证明了所开发的各种取代化合物合成方法的实用性和多功能性，并讨论了所涉及化学的范围和局限性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejoc.200500522

文献信息

• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577A1

  公开（公告）日：2013-02-20
• BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Gouliaev Alex Haahr

  公开号：US20130281324A1

  公开（公告）日：2013-10-24

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.
• [EN] BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES<br/>[FR] COMPLEXES BIFONCTIONNELS ET PROCÉDÉS DE FABRICATION ET D'UTILISATION DE TELS COMPLEXES
  申请人：NUEVOLUTION AS

  公开号：WO2011127933A1

  公开（公告）日：2011-10-20

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.
• Synthesis of Annelated Azaheterocycles Containing a 5-Carbamoylpyrazin-3-one Fragment by a Modification of the Four-Component Ugi Reaction
  作者：Alexey P. Ilyin、Vladimir V. Kobak、Irina G. Dmitrieva、Yulia N. Peregudova、Veronika A. Kustova、Yulia S. Mishunina、Sergey E. Tkachenko、Alexandre V. Ivachtchenko

  DOI：10.1002/ejoc.200500522

  日期：2005.11

  A convenient synthesis of novel imidazole- and pyrrole-fused 1-oxo-1,2,3,4-tetrahydropyrazine heterocyclic structures by a novel modification of the four-component Ugi condensation is described. The usefulness and versatility of the developed approach for the synthesis of variously substituted compounds is demonstrated and the scope and limitations of the chemistry involved are discussed. (© Wiley-VCH

  描述了通过四组分 Ugi 缩合的新型修饰，方便合成新型咪唑和吡咯稠合的 1-oxo-1,2,3,4-四氢吡嗪杂环结构。证明了所开发的各种取代化合物合成方法的实用性和多功能性，并讨论了所涉及化学的范围和局限性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)