1-(4-methylphenyl)-3,5-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | 1158827-29-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-methylphenyl)-3,5-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
• 英文别名: 1-(4-Methylphenyl)-3,5-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione；1-(4-methylphenyl)-3,5-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 1158827-29-2
• 化学式: C₂₃H₁₈N₂O₂S
• 分子量: 386.474
• InChiKey: KBWVBSYVJCGVNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氧代-2-苯基丙烯酰氯化物 、 1-(4-甲基苯基)-3-苯基硫脲 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以90%的产率得到1-(4-methylphenyl)-3,5-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
  参考文献：
  名称：

  The Condensation of (Chlorocarbonyl)phenylketene with 1,3-Dinucleophiles. II. Preparation of 2-Hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-ones and Thioxo Dihydro-4,6(1H,5H)-pyrimidinones

  摘要：

  A simple one-pot and efficient method is described for the synthesis of 2-hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one and thioxodihydro-4,6(1H,5H)-pyrimidinone derivatives via the reaction of (chlorocarbonyl)phenylketene with 1,3- dinucleophiles such as 2-aminobenzothiazoles and N-arylthioureas respectively. This method offers a simple and convenient route to prepare the title compounds in good to excellent yields in a short reaction time.

  DOI：

  10.3987/com-08-11567

文献信息

• The Condensation of (Chlorocarbonyl)phenylketene with 1,3-Dinucleophiles. II. Preparation of 2-Hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-ones and Thioxo Dihydro-4,6(1H,5H)-pyrimidinones
  作者：Hassan Sheibani、Mahboobeh Zahedifar

  DOI：10.3987/com-08-11567

  日期：——

  A simple one-pot and efficient method is described for the synthesis of 2-hydroxy-3-phenyl-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one and thioxodihydro-4,6(1H,5H)-pyrimidinone derivatives via the reaction of (chlorocarbonyl)phenylketene with 1,3- dinucleophiles such as 2-aminobenzothiazoles and N-arylthioureas respectively. This method offers a simple and convenient route to prepare the title compounds in good to excellent yields in a short reaction time.