3,5,5-Trimethyl-1-(3-phenylpropyl)-2,6-bis(sulfanylidene)-1,3-diazinan-4-one | 523977-95-9

• 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: 3,5,5-Trimethyl-1-(3-phenylpropyl)-2,6-bis(sulfanylidene)-1,3-diazinan-4-one
• CAS: 523977-95-9
• 化学式: C₁₆H₂₀N₂OS₂
• 分子量: 320.48
• InChiKey: ROIZUDNKUMQVRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5,5-Trimethyl-1-(3-phenylpropyl)-2,6-bis(sulfanylidene)-1,3-diazinan-4-one 以 乙腈 为溶剂， 以23%的产率得到2,4,4-Trimethyl-5-phenyl-1-thioxo-1,2,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidin-3-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：

  二甲基丙二酰二氯 在 劳森试剂 、 三乙胺 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 xylene 为溶剂， 反应 15.0h， 生成 3,5,5-Trimethyl-1-(3-phenylpropyl)-2,6-bis(sulfanylidene)-1,3-diazinan-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

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.