1-甲基-6-苯基嘧啶-2,4-二酮 | 42542-57-4

• 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: 1-甲基-6-苯基嘧啶-2,4-二酮
• 英文名称: 1-methyl-6-phenyl-2,4(1H,3H)-pyrimidinedione
• 英文别名: 1-methyl-6-phenyluracil；1-methyl-6-phenyl-1H-pyrimidine-2,4-dione；1-Methyl-6-phenyl-1H-pyrimidin-2,4-dion；1-methyl-6-phenyl-2,4(1H3H)-pyrimidinedione；1-N-methyl-6-phenyl-2,4-pyrimidine-dione；1-N-Methyl-6-Phenyl-2,4Pyrimidine-Dione；1-Methyl-6-phenylpyrimidine-2,4(1H,3H)-dione；1-methyl-6-phenylpyrimidine-2,4-dione
• CAS: 42542-57-4
• 化学式: C₁₁H₁₀N₂O₂
• 分子量: 202.213
• InChiKey: PPONYEBHZLCCHO-UHFFFAOYSA-N

物化性质

• 熔点：
  194-195 °C
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-甲基-6-苯基嘧啶-2,4-二酮 在 三氯氧磷 作用下， 反应 4.0h， 以90 mg的产率得到4-chloro-1-methyl-6-phenylpyrimidin-2(1H)-one
  参考文献：
  名称：

  PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF

  摘要：

  公开号：

  EP3239135B1
• 作为产物：
  描述：

  苯甲酰乙酸乙酯 在 盐酸 、 sodium hydroxide 、 sodium methylate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 20.5h， 生成 1-甲基-6-苯基嘧啶-2,4-二酮
  参考文献：
  名称：

  Pyrimidinones. 3. N-Substituted 6-phenylpyrimidinones and pyrimidinediones with diuretic/hypotensive and antiinflammatory activity

  摘要：

  In an extensive analysis of the antiviral and interferon-induction structure-activity relationship of 6-arylpyrimidinones we found that modifications at positions 1-4 of the pyrimidine ring resulted in a loss of activity. However, we uncovered interesting hypotensive and antiinflammatory activity with a series of N-substituted analogues, the results of which we report herein.

  DOI：

  10.1021/jm00158a030

文献信息

• 6-phenyl-3-(piperazinyalalkyl)-2,4(1H,3H)-pyrimidinedione derivatives,
  申请人：Synthelabo

  公开号：US04950670A1

  公开（公告）日：1990-08-21

  A pyrimidinedione derivative which is a compound of formula (I): ##STR1## in which: R1 denotes hydrogen, a halogen, a methyl group or a methoxy group, R2 denotes hydrogen, a C.sub.1 -C.sub.4 alkyl group or a benzyl group, n denotes 2, 3 or 4, X denotes a CH group or nitrogen, and R3 denotes hydrogen, a halogen or a methoxy group when X denotes a CH group, with the proviso that R3 denotes hydrogen when X denotes nitrogen, or a pharmacologically acceptable acid addition salt thereof.

  一种嘧啶二酮衍生物，其化学式为（I）：##STR1##其中：R1代表氢、卤素、甲基基团或甲氧基，R2代表氢、C.sub.1-C.sub.4烷基或苄基，n代表2、3或4，X代表CH基团或氮，R3代表氢、卤素或甲氧基，当X代表CH基团时，R3代表氢，但当X代表氮时，R3代表氢，或其药理学上可接受的酸盐。
• Synthesis of uracil derivatives by oxidation of Fischer tungsten–carbene uracil complexes
  作者：Giorgio Della Sala、Antonietta Artillo、Susagna Ricart、Aldo Spinella

  DOI：10.1016/j.jorganchem.2006.12.013

  日期：2007.3

  oxidation of Fischer tungsten–carbene uracil complexes has been carried out. Several commonly used oxidants gave results strongly influenced by the presence of substituent on nitrogen atoms. In particular, usual oxidants failed in the oxidation of 3-alkyl uracil carbene complexes. Finally, we showed that t-butyl hydroperoxide is able to oxidize successfully also 3-alkyl uracil carbene complexes and can be used

  已经对费歇尔钨-卡宾尿嘧啶配合物的氧化进行了研究。几种常用的氧化剂所产生的结果受氮原子上取代基的强烈影响。特别是，通常的氧化剂不能使3-烷基尿嘧啶卡宾配合物氧化。最后，我们证明了叔丁基氢过氧化物也能够成功氧化3-烷基尿嘧啶卡宾配合物，并且可以用作其他方法的良好替代品。
• 6-aryluracils and selected novel intermediates used in the preparation
  申请人：The Upjohn Company

  公开号：US04625028A1

  公开（公告）日：1986-11-25

  This invention relates to selected hydrogenated 5,6-dihydro-6-aryluracils.

  本发明涉及选择的氢化5,6-二氢-6-芳基尿嘧啶。
• 6-Aryluracils
  申请人：The Upjohn Company

  公开号：US04495349A1

  公开（公告）日：1985-01-22

  This invention relates to the use of 6-aryluracils as antiinflammatory and antiarthritic agents and also to both novel intermediates and novel processes for the preparation of selected 6-aryluracils.

  本发明涉及6-芳基尿嘧啶作为抗炎和抗关节炎药物的使用，以及用于制备选定的6-芳基尿嘧啶的新型中间体和新型工艺。
• Process for the preparation of 1,3-oxazine-4-ones
  申请人：The Upjohn Company

  公开号：US04521599A1

  公开（公告）日：1985-06-04

  This invention relates to the use of 6-aryluracils as antiinflammatory and antiarthritic agents and also to both novel intermediates and novel processes for the preparation of selected 6-aryluracils.

  本发明涉及使用6-芳基尿嘧啶作为抗炎和抗关节炎药物，以及用于制备所选6-芳基尿嘧啶的新型中间体和新型工艺。