ethyl 4-methyl-6-(methylthio)-2-phenylpyrimidine-5-carboxylate | 13995-89-6

• 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: ethyl 4-methyl-6-(methylthio)-2-phenylpyrimidine-5-carboxylate
• 英文别名: 4-methyl-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester；4-Methylmercapto-6-methyl-2-phenyl-5-ethoxycarbonyl-pyrimidin；ethyl 4-methyl-6-methylsulfanyl-2-phenylpyrimidine-5-carboxylate
• CAS: 13995-89-6
• 化学式: C₁₅H₁₆N₂O₂S
• 分子量: 288.37
• InChiKey: CDZIZNTXUNQQDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-methyl-6-(methylthio)-2-phenylpyrimidine-5-carboxylate 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.0h， 以3.1 g的产率得到ethyl 4-formyl-6-(methylthio)-2-phenylpyrimidine-5-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDO-PYRIDAZINONE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2013028818A8
• 作为产物：
  描述：

  ethyl 2-acetyl-3,3-bis(methylthio)acrylate 、 N-acetylbenzamidine 在 三乙胺 作用下， 以 乙醇 为溶剂， 以350 mg的产率得到ethyl 4-methyl-6-(methylthio)-2-phenylpyrimidine-5-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDO-PYRIDAZINONE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2013028818A8

文献信息

• PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Endo Pharmaceuticals Inc.

  公开号：US20140221315A1

  公开（公告）日：2014-08-07

  The present application provides novel pyrimido-pyridazinone compounds and methods for preparing and using these compounds. These compounds are useful in treating inflammation in patients by administering one or more of the compounds to a patient. In one embodiment, the novel pyrimido-pyridazinone compound is of Formula (I) and R 1 and R 2 are defined herein.

  本申请提供了新型嘧啶并吡啶嗪酮化合物以及制备和使用这些化合物的方法。通过向患者投药一种或多种化合物，这些化合物可用于治疗患者的炎症。在一种实施方式中，新型嘧啶并吡啶嗪酮化合物为公式（I）中的化合物，其中R1和R2在此定义。
• Pyrimido-pyridazinone compounds and methods of use thereof
  申请人：Venkatesan Aranapakam

  公开号：US08729079B2

  公开（公告）日：2014-05-20

  The present application provides novel pyrimido-pyridazinone compounds and methods for preparing and using these compounds. These compounds are useful in treating inflammation in patients by administering one or more of the compounds to a patient. In one embodiment, the novel pyrimido-pyridazinone compound is of Formula (I) and R1 and R2 are defined herein.

  本申请提供了新型嘧啶并吡啶嗪酮化合物及其制备和使用方法。这些化合物通过向患者施用一种或多种化合物来治疗患者的炎症。在一种实施例中，新型嘧啶并吡啶嗪酮化合物为式（I）化合物，其中R1和R2在此定义。
• PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS AND USE THEREOF
  申请人：Asana BioSciences, LLC

  公开号：EP3404029A2

  公开（公告）日：2018-11-21

  The present application provides novel pyrimido-pyridazinone compounds and methods for preparing and using these compounds. These compounds are useful in treating inflammation in patients by administering one or more of the compounds to a patient. In one embodiment, the novel pyrimido-pyridazinone compound is of Formula (I) and R1 and R2 are defined herein.

  本申请提供了新型嘧啶哒嗪酮化合物以及制备和使用这些化合物的方法。通过向患者施用一种或多种化合物，这些化合物可用于治疗患者的炎症。在一个实施方案中，新型嘧啶基哒嗪酮化合物为式(I)，R1和R2在此定义。
• Microwave-Assisted Solvent-Free Synthesis of Highly Functionalized Pyrimidine Derivatives
  作者：Shengjiao Yan、Yanfei Niu、Xuebing Chen、Yongjiang Liu、Jun Lin

  DOI：10.1002/jhet.891

  日期：2012.7

  We here described an efficient method for the synthesis of a series of highly functionalized pyrimidines via the addition and condensation reaction of ketene dithioacetals with guanidine carbonate or amidine hydrochlorides by microwave irradiation under solvent‐free conditions in the absence of a catalyst, giving the products with good yields (79–98%).
• PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF
  申请人：Endo Pharmaceuticals Inc.

  公开号：EP2748166A1

  公开（公告）日：2014-07-02