3-(4-甲基-6-氧代-2-苯基-1,6-二氢-5-嘧啶)丙酸 | 21506-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 3-(4-甲基-6-氧代-2-苯基-1,6-二氢-5-嘧啶)丙酸
• 英文名称: 3-(4-methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-5-yl)propanoic acid
• 英文别名: 3-(4-Methyl-6-oxo-2-phenyl-1,6-dihydropyrimidin-5-yl)propanoic acid；3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoic acid
• CAS: 21506-68-3
• 化学式: C₁₄H₁₄N₂O₃
• mdl: MFCD05240752
• 分子量: 258.277
• InChiKey: AZSDDFMVTLSDGY-UHFFFAOYSA-N

物化性质

• 沸点：
  455.2±47.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.214
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  3-(4-甲基-6-氧代-2-苯基-1,6-二氢-5-嘧啶)丙酸 在 三氯氧磷 作用下， 以 异丁醇 为溶剂， 反应 13.0h， 生成 4-methyl-2-phenyl-5,6-dihydrobenzo[4',5']imidazo[2',1':6,1]pyrido[2,3-d]pyrimidine
  参考文献：
  名称：

  Synthesis and properties of derivatives of pyrimidin-5-ylpropanoic acids and 8-aryl-4-methyl- and 4,6-dimethyl-2-phenyl-5,6,7,8-tetrahydropyrido-[2,3-d]pyrimidin-7-ones

  摘要：

  Proceeding from 3-(4-methyl-6-oxo-2-phenyl-1,6-dihydro-5-pyrimidinyl)propanoic and 2-methylpropanoic acids by successive reactions of chlorination, amination, and heterocyclization 4-amino-substituted pyrimidines were synthesized: 5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives and 4-methyl-2-phenyl-5,6-dihydrobenzo[4',5']imidazo[2',1':6,1]pyrido[2,3-d]pyrimidine which we had previously obtained by alternative method. Antibacterial properties of the synthesized compounds were studied.

  DOI：

  10.1134/s1070428015050218
• 作为产物：
  描述：

  乙酰戊二酸二乙酯 、 苄脒盐酸盐 在 sodium hydroxide 作用下， 生成 3-(4-甲基-6-氧代-2-苯基-1,6-二氢-5-嘧啶)丙酸
  参考文献：
  名称：

  Pinner, Chemische Berichte, 1889, vol. 22, p. 2617

  摘要：

  DOI：

文献信息

• One-stage synthesis of condensed pyrimidines by reaction of substituted 3-(pyrimidin-5-yl)propanoic acids with ortho-diamines: Extension of limits
  作者：А. А. Harutyunyan

  DOI：10.1134/s1070428016020135

  日期：2016.2

  2-aryl-substituted pyrimidin-5-ylpropanoic acids with 1,2-ethanediamine and 1,2-benzenediamine in polyphosphoric acid new derivatives of heterocyclic systems were synthesized: imidazo- and benzo[4',5']imidazo[1',2':1,6]pyrido[2,3-d]pyrimidines. Unlike that the reaction of substituted 2-mercaptopyrimidin-5-ylpropanoic acid with 1,2-benzenediamine in polyphosphoric acid in the presence of equimolar amount of

  通过2-芳基取代的嘧啶-5-基丙酸与1,2-乙二胺和1,2-苯二胺在多磷酸中的缩合反应，合成了杂环系统的新衍生物：咪唑基和苯并[4'，5']咪唑并[ 1′，2′：1，6]吡啶并[2，3- d ]嘧啶。在存在等摩尔量的ZnCl 2的情况下，取代的2-巯基嘧啶5-基丙酸与1,2-苯二胺在多磷酸中的反应是通过串联机理进行的，形成了4-甲基-5,6-二氢苯并[4'，5']咪唑并[1'，2'：1,6]吡啶[2,3 - d ]嘧啶-2-硫醇和相应的二硫键。
• [EN] NON-PEPTIDIC HETEROCYCLE-CONTAINING COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] COMPOSÉS NON PÉPTIDIQUES CONTENANT DES HÉTÉROCYCLES POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：UNIV ALBERTA

  公开号：WO2020215157A1

  公开（公告）日：2020-10-29

  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.

  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。
• 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。
• 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.
• One-step synthesis of pyrido[2,3-d]pyrimidines, amides, and benzoxazolylethylpyrimidine by condensation of substituted 3-(2-phenylpyrimidin-5-yl)propanoic acids with aromatic amines in polyphosphoric acid
  作者：A. A. Harutyunyan、H. A. Panosyan、S. G. Chishmarityan、R. A. Tamazyan、A. G. Ayvazyan

  DOI：10.1134/s1070428015030112

  日期：2015.3

  Depending on the reactant structure, reactions of substituted 3-(2-phenylpyrimidin-5-yl)propanoic acids with 2-aminopyridine, p-toluidine, and 2-aminophenol in polyphosphoric acid afforded the corresponding N-(pyridin-2-yl)propanamides, 5-[2-(benzoxazol-2-yl)ethyl]pyrimidine, and pyrido[2,3-d]pyrimidinones.