1,3,5-Trimethyl-5-(4-phenyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione | 523978-13-4

• 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: 1,3,5-Trimethyl-5-(4-phenyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
• 英文别名: 1,3,5-Trimethyl-5-(4-phenylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione；1,3,5-trimethyl-5-(4-phenylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 523978-13-4
• 化学式: C₁₇H₂₂N₂O₂S
• 分子量: 318.44
• InChiKey: IEZUGZUHAAKNLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-Trimethyl-5-(4-phenyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione 在 劳森试剂 作用下， 以 乙腈 、 xylene 为溶剂， 反应 48.0h， 生成 1,3,4a-trimethyl-8-phenyl-2-sulfanylidene-6,7-dihydro-5H-quinazolin-4-one
  参考文献：
  名称：

  Intramolecular Photoreaction of Thio-barbiturates with an Alkenyl or a Benzyl Group in Their N-Alkyl Side Chain. Regio-selective Synthesis of Ring-fused Pyrimidine Derivatives through Photocyclization of Mono- and Dithiobarbiturates

  摘要：

  Upon irradiation, thiobarbiturates with an alkenyl (4,5) or a benzyl (14,15,21) group in their N-alkyl side chain give bi- and tri-cyclic fused pyrimidine derivatives through regioselective [2+2] photocycloaddition or Norrish type II reaction, respectively.

  DOI：

  10.3987/com-02-s37
• 作为产物：
  描述：

  4-苯基-1-丁基溴 在 氢氧化钾 、 五氯化磷 、 水 、 lithium hydride 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 、 苯 为溶剂， 反应 10.5h， 生成 1,3,5-Trimethyl-5-(4-phenyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
  参考文献：
  名称：

  Intramolecular Photoreaction of Thio-barbiturates with an Alkenyl or a Benzyl Group in Their N-Alkyl Side Chain. Regio-selective Synthesis of Ring-fused Pyrimidine Derivatives through Photocyclization of Mono- and Dithiobarbiturates

  摘要：

  Upon irradiation, thiobarbiturates with an alkenyl (4,5) or a benzyl (14,15,21) group in their N-alkyl side chain give bi- and tri-cyclic fused pyrimidine derivatives through regioselective [2+2] photocycloaddition or Norrish type II reaction, respectively.

  DOI：

  10.3987/com-02-s37

文献信息

• Intramolecular Photoreaction of Thio-barbiturates with an Alkenyl or a Benzyl Group in Their N-Alkyl Side Chain. Regio-selective Synthesis of Ring-fused Pyrimidine Derivatives through Photocyclization of Mono- and Dithiobarbiturates
  作者：Haruko Takechi、Hajime Takahashi、Reijiro Mahara、Minoru Machida

  DOI：10.3987/com-02-s37

  日期：——

  Upon irradiation, thiobarbiturates with an alkenyl (4,5) or a benzyl (14,15,21) group in their N-alkyl side chain give bi- and tri-cyclic fused pyrimidine derivatives through regioselective [2+2] photocycloaddition or Norrish type II reaction, respectively.