3-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid | 802589-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
• 英文别名: 3-(2,6-Dimethyl-4-oxo-1,4-dihydropyrimidin-5-yl)propanoic acid；3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
• CAS: 802589-80-6
• 化学式: C₉H₁₂N₂O₃
• mdl: MFCD09281663
• 分子量: 196.206
• InChiKey: LEQWIISCIONADN-UHFFFAOYSA-N

物化性质

• 沸点：
  371.5±44.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  3-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid 、 7-(三氟甲基)-3,4-二氢-1H-喹喔啉-2-酮 在 草酰氯 、 N,N-二甲基甲酰胺 、 碳酸氢钠 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到4-[3-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoyl]-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one
  参考文献：
  名称：

  [EN] NON-PEPTIDIC HETEROCYCLE-CONTAINING COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  [FR] COMPOSÉS NON PÉPTIDIQUES CONTENANT DES HÉTÉROCYCLES POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

  摘要：

  本公开提供了含非肽杂环的胰岛素类受体拮抗剂化合物，包括该类化合物的组合物，用于制备和使用胰岛素类受体拮抗剂的方法，以及含有胰岛素类受体拮抗剂的组合物，用于治疗、预防或改善阿尔茨海默病。本公开的方面包括通过向需要的受试者投与治疗有效量的胰岛素类受体拮抗剂来抑制胰岛素类受体活性的方法。

  公开号：

  WO2020215157A1
• 作为产物：
  描述：

  乙酰戊二酸二乙酯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
  参考文献：
  名称：

  Substituted 2-(2-Arylethenyl]pyrimidin-4(3H)-ones: Synthesis and Structure

  摘要：

  5-Substituted 2,6-dimethylpyrimidin-4(3H)-ones were synthesized, and their structure was proved by X-ray analysis. Their reactions with aromatic aldehydes regioselectively afforded (Z)-2-(2-arylethenyl)- pyrimidin-4(3H)-ones whose structure was determined by one- and two-dimensional (NOESY) H-1 NMR and X-ray analysis.

  DOI：

  10.1134/s1070428018040164

文献信息

• Synthesis of tetra- and pentaaza heterocyclic systems and benzimidazo[1,2-c]quinazoline derivatives
  作者：A. A. Harutyunyan

  DOI：10.1134/s1070428014010187

  日期：2014.1

  5,6-Dihydropyrimido[5′,4′: 5,6]pyrido[1,2-a]benzimidazole and pyrimido[4′,5′: 4,5]pyrimido[1,6-a]-benzimidazole derivatives were synthesized starting from 3-[4-hydroxy-6-methyl(hydroxy)-2-phenylpyrimidin-5-yl]propanoic and 4-hydroxy-2-phenylpyrimidine-5-carboxylic acids. New 6-sulfanyl-substituted benzimidazo-[1,2-c]quinazolines were also prepared.

  5,6-二氢嘧啶基[5'，4'：5,6]吡啶基[1,2- a ]苯并咪唑和嘧啶基[4'，5'：4,5]嘧啶基[1,6- a ]-苯并咪唑衍生物是从3- [4-羟基-6-甲基（羟基）-2-苯基嘧啶-5-基]丙酸和4-羟基-2-苯基嘧啶-5-羧酸开始合成。还制备了新的6-硫烷基取代的苯并咪唑-[1,2- c ]喹唑啉。
• A New One-Step Route for the Synthesis of Fused Pyrido[1,2-<i>a</i>]pyrimidin-4-ones
  作者：Dmitriy Volochnyuk、Andrey Plaskon、Sergey Ryabukhin、Andrey Tolmachev

  DOI：10.1055/s-2008-1066988

  日期：——

  variety of 2-methylpyrimidin-4(3 H)-ones promoted by chlorotrimethylsilane was investigated. A simple and flexible general procedure for the synthesis of a series of fused pyrido[1,2- A]pyrimidin-4-ones is proposed. A set of functionally and structurally diverse pyrido[1,2- A]pyrimidin-4-ones were obtained in high yields.

  研究了三甲基氯硅烷促进的3-甲酰色酮与多种2-甲基嘧啶-4(3 H)-酮的环化反应。提出了一种用于合成一系列稠合吡啶并[1,2-A]嘧啶-4-酮的简单灵活的通用程序。以高产率获得了一组功能和结构多样的吡啶并[1,2-A]嘧啶-4-酮。
• Synthesis of tetra- and pentaazaheterocyclic systems and benzimidazo[1,2-c]quinazoline derivatives
  作者：A. A. Arutyunyan

  DOI：10.1134/s1070428014020195

  日期：2014.2

  Starting with 5-carboxy-4-hydroxy-2-phenylpyrimidine and 4-hydroxy-6-methyl(hydroxy)-2-phenylpyrimidinyl-5-propanoic acids derivatives of two heterocyclic systems, benzimidazopyrido- and pyrimidopyrimidine, were synthesized. Synthesis of new S-substituted benzimidazo[1,2-c]quinazolines was also carried out.
• Non-Peptidic Heterocycle-Containing Compounds for the Treatment of Alzheimer?s Disease
  申请人：The Governors of the University of Alberta

  公开号：US20220226335A1

  公开（公告）日：2022-07-21

  The present disclosure provides non-peptidic heterocycle-containing amylin receptor antagonist compounds, compositions that include the subject compounds, methods for preparing and using the amylin receptor antagonists, and compositions containing the amylin receptor antagonists for treating, preventing, or ameliorating Alzheimer's disease. Aspects of the present disclosure include a method of inhibiting activity of an amylin receptor by administering to a subject in need thereof a therapeutically effective amount of an amylin receptor antagonist.
• Substituted 2-(2-Arylethenyl]pyrimidin-4(3H)-ones: Synthesis and Structure
  作者：A. A. Harutyunyan、G. A. Panosyan、R. A. Tamazyan、A. G. Aivazyan、G. T. Gukasyan、G. G. Danagulyan

  DOI：10.1134/s1070428018040164

  日期：2018.4

  5-Substituted 2,6-dimethylpyrimidin-4(3H)-ones were synthesized, and their structure was proved by X-ray analysis. Their reactions with aromatic aldehydes regioselectively afforded (Z)-2-(2-arylethenyl)- pyrimidin-4(3H)-ones whose structure was determined by one- and two-dimensional (NOESY) H-1 NMR and X-ray analysis.