6-(3-chlorophenyl)-3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carbonitrile | 128641-01-0

• 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-(3-chlorophenyl)-3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carbonitrile
• 英文别名: 4-(3-chlorophenyl)-2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile；4-(3-chlorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
• CAS: 128641-01-0
• 化学式: C₁₂H₈ClN₃OS
• 分子量: 277.734
• InChiKey: LFIDMPVKUNMKSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  90.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(3-chlorophenyl)-3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carbonitrile 在 三氯氧磷 作用下， 生成 4-chloro-6-(3-chlorophenyl)-2-methylthiopyrimidine-5-carbonitrile
  参考文献：
  名称：

  Suitably functionalised pyrimidines as potential antimycotic agents

  摘要：

  Various suitably functionalised pyrimidine derivatives have been synthesized to explore their potential as antimycotic agents. Some of the synthesized compounds 4c, 4d, 8a-e have shown highly significant in vitro antifungal activity against five human pathogenic fungi. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00091-3
• 作为产物：
  描述：

  3-氯苯甲醛 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 6-(3-chlorophenyl)-3,4-dihydro-2-methylthio-4-oxopyrimidine-5-carbonitrile
  参考文献：
  名称：

  Ram, Vishnu Ji, Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 6, p. 893 - 905

  摘要：

  DOI：

文献信息

• An efficient and facile synthesis of inhibitors for hepatitis C viral and anti-SARS agents: 4-aryl-5-cyano-1,6-dihydro-2-thiouracils
  作者：Liangce Rong、Shan Yin、Sheng Xia、Shimin Tao、Yanhui Shi、Shujiang Tu

  DOI：10.1007/s11164-011-0434-4

  日期：2012.3

  One-pot, multicomponent reaction for the synthesis of 4-aryl-5-cyano-1,6-dihydro-2-thiouracils via three-component from aromatic aldehydes, ethyl 2-cyanoacetate and S-benzylisothiourea hydrochloride (methyl carbamimidothioate sulfate) under methanol is described. These compounds have many drug activities, such as anti-hepatitis C viral, anti-Severe acute respiratory syndrome and anti-HIV-1 integrese activity. The advantages of this procedure include the short reaction time, mild reaction conditions and excellent yields.

  描述了一种一锅法多组分反应，通过芳香醛、乙基2-氰基乙酸酯和盐酸硫代脲苄基（甲基氨基硫酸酯）在甲醇中合成4-芳基-5-氰基-1,6-二氢-2-硫脲嘧啶的三组分反应。这些化合物具有多种药物活性，如抗丙型肝炎病毒、抗严重急性呼吸综合症和抗HIV-1整合酶活性。这种方法的优点包括反应时间短、反应条件温和和产率优秀。
• RAM, VISHNU JI., J. PRAKT. CHEM., 331,(1989) N, C. 893-905
  作者：RAM, VISHNU JI.

  DOI：——

  日期：——
• Suitably functionalised pyrimidines as potential antimycotic agents
  作者：Nidhi Agarwal、Sandeep K. Raghuwanshi、D.N. Upadhyay、P.K. Shukla、Vishnu J. Ram

  DOI：10.1016/s0960-894x(00)00091-3

  日期：2000.4

  Various suitably functionalised pyrimidine derivatives have been synthesized to explore their potential as antimycotic agents. Some of the synthesized compounds 4c, 4d, 8a-e have shown highly significant in vitro antifungal activity against five human pathogenic fungi. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Ram, Vishnu Ji, Journal fur praktische Chemie (Leipzig 1954), 1989, vol. 331, # 6, p. 893 - 905
  作者：Ram, Vishnu Ji

  DOI：——

  日期：——