N-(1,3-dimethyl-5-styryluracil-6-yl)-S,S-diphenylsulfilimine

• 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: N-(1,3-dimethyl-5-styryluracil-6-yl)-S,S-diphenylsulfilimine
• 英文别名: 6-[(diphenyl-lambda4-sulfanylidene)amino]-1,3-dimethyl-5-[(E)-2-phenylethenyl]pyrimidine-2,4-dione；6-[(diphenyl-λ4-sulfanylidene)amino]-1,3-dimethyl-5-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
• 化学式: C₂₆H₂₃N₃O₂S
• 分子量: 441.554
• InChiKey: NLNZDYORAWMUFX-VHEBQXMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  72.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(1,3-dimethyl-5-styryluracil-6-yl)-S,S-diphenylsulfilimine 以 乙醇 为溶剂， 反应 0.67h， 以91%的产率得到1,3-dimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of pyrrolo[2,3-d]pyrimidine-2,4-diones by sunlight photolysis of N-(5-vinyluracil-6-yl)sulfilimines

  摘要：

  Uracil derivatives having a vinyl group at the C-5 position and a sulfilimine moiety at the C-6 position were prepared and cyclized to 1,3,6-trisubstituted pyrrolo[2,3-d]pyrimidine-2,4-diones by sunlight photolysis in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.054
• 作为产物：
  描述：

  苄基三苯基氯化膦 、 N-(5-formyl-1,3-dimethyl-6-uracilyl)-S,S-diphenylsulfilimine 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以71%的产率得到N-(1,3-dimethyl-5-styryluracil-6-yl)-S,S-diphenylsulfilimine
  参考文献：
  名称：

  Synthesis of pyrrolo[2,3-d]pyrimidine-2,4-diones by sunlight photolysis of N-(5-vinyluracil-6-yl)sulfilimines

  摘要：

  Uracil derivatives having a vinyl group at the C-5 position and a sulfilimine moiety at the C-6 position were prepared and cyclized to 1,3,6-trisubstituted pyrrolo[2,3-d]pyrimidine-2,4-diones by sunlight photolysis in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.054