6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine | 30570-16-2

• 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: 6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine
• 英文别名: 3,4-Dihydro-6-methyl-4-phenyl-2(1H)-pyrimidinon；6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-one；6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one；6-Methyl-4-phenyl-3,4-dihydro-2(1H)-pyrimidinon；6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
• CAS: 30570-16-2
• 化学式: C₁₁H₁₂N₂O
• 分子量: 188.229
• InChiKey: HPLFSKPZYHUYQO-UHFFFAOYSA-N

物化性质

• 熔点：
  160 °C(Solv: isopropanol (67-63-0))
• 沸点：
  314.6±42.0 °C(Predicted)
• 密度：
  1.104±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,2,3,4-四氢-6-甲基-2-氧代-4-苯基-5-嘧啶羧酸 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine
  参考文献：
  名称：

  Expedient synthesis of 5-unsubstituted 3,4-dihydropyrimidin-2(1H)-ones

  摘要：

  A new procedure for the synthesis of 5-unsubstituted 3,4-dihydropyrimidin-2(1H)-ones is described. Two plausible mechanisms for the key chemical transformation are advanced. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02155-8

文献信息

• Synthesis of New Pyrimidine, Quinazoline and Diazatricyclo Derivatives by Multicomponent Reaction and Evaluation of Their Biological Activity
  作者：Akbar Mobinikhaledi、Naser Foroughifar、Tahere Mosleh、Ahmad Hamta

  DOI：10.1080/10426507.2011.645175

  日期：2012.6

  Abstract A series of new pyrimidine and quinazoline derivatives was synthesized by a Biginelli-like reaction of urea/thiourea, aldehyde, and ketone in the presence of hydrochloric acid as a catalyst. In a similar way, some novel diazatricyclo derivatives were obtained via a Biginelli-like reaction followed by an intramolecular Michael-type addition. The yields of products were reasonable after recrystallization

  摘要 以尿素/硫脲、醛、酮为原料，以盐酸为催化剂，通过类Biginelli反应合成了一系列新的嘧啶和喹唑啉衍生物。以类似的方式，通过类 Biginelli 反应和分子内迈克尔型加成获得了一些新的二氮杂三环衍生物。乙醇重结晶后产物收率合理。所有新合成的化合物均使用 IR 和 NMR（1H 和 13C）光谱和元素分析进行​​表征。研究了这些化合物对金黄色葡萄球菌（RTCC，1885）和大肠杆菌（ATCC，35922）的抗菌活性。补充材料可用于本文。转至出版商的在线版磷、硫、和硅和相关元素查看免费的补充文件。图形概要
• On water synthesis of the novel 2-oxo-1,2,3,4-tetrahydropyrimidines
  作者：Emilija Milović、Nenad Janković、Goran A. Bogdanović、Jelena Petronijević、Nenad Joksimović

  DOI：10.1016/j.tet.2020.131790

  日期：2021.1

  A simple on water approach for the synthesis of novel tetrahydropyrimidine (THPM) derivatives has been developed under a green and sustainable fashion. For the first time, a deuterated Biginelli’s hybrid was synthesized. Novel THPMs are suitable for further derivatization and could be an excellent toolkit for lead-oriented synthesis and/or cross-coupling reactions.

  已经以绿色和可持续的方式开发了一种简单的水合成新的四氢嘧啶（THPM）衍生物的方法。首次合成了氘化的Biginelli杂种。新型THPM适用于进一步衍生化，并且可能是面向铅的合成和/或交叉偶联反应的出色工具包。
• ZIGEUNER G.; KNOPP C.; BLASCHKE H., MONATSH. CHEM. <MOCH-AP>, 1976, 107, NO 3, 587-603
  作者：ZIGEUNER G.、 KNOPP C.、 BLASCHKE H.

  DOI：——

  日期：——