3-Benzylsulfanyl-1-phenylpyrimido[1,6-a]benzimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 3-Benzylsulfanyl-1-phenylpyrimido[1,6-a]benzimidazole
• 化学式: C₂₃H₁₇N₃S
• 分子量: 367.474
• InChiKey: KTVBSVJQKBXIRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  55.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ((1H-benzo[d]imidazol-2-yl)methyl)triphenylphosphonium chloride 在 二甲胺 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 28.0h， 生成 3-Benzylsulfanyl-1-phenylpyrimido[1,6-a]benzimidazole
  参考文献：
  名称：

  摘要：

  The reaction of readily accessible (benzin-tidazol-2-ylmethyl)triphenylphosphonium chloride with acyl isothiocyanates in the presence of triethylamine, as well as consecutive treatment of the above phosphonium salt first with N,N-dimethylformamide dimethyl acetal and then with phenyl or allyl isothiocyanate gives two types of phosphorus-containing derivatives of pyrimido[1,6-a]benzimidazole with the thione group in position 3 or I of the condensed system. The structure of one of compounds of the first type, 3-thioxo-1-p-tolyl-3,4-dihydropyrimido[1,6-a]benzimidazol-4-ylidenetriphenylphosphorane, was determined by single crystal X-ray diffraction.

  DOI：

  10.1023/a:1023328910321

文献信息

• ——
  作者：O. B. Smolii

  DOI：10.1023/a:1023328910321

  日期：——

  The reaction of readily accessible (benzin-tidazol-2-ylmethyl)triphenylphosphonium chloride with acyl isothiocyanates in the presence of triethylamine, as well as consecutive treatment of the above phosphonium salt first with N,N-dimethylformamide dimethyl acetal and then with phenyl or allyl isothiocyanate gives two types of phosphorus-containing derivatives of pyrimido[1,6-a]benzimidazole with the thione group in position 3 or I of the condensed system. The structure of one of compounds of the first type, 3-thioxo-1-p-tolyl-3,4-dihydropyrimido[1,6-a]benzimidazol-4-ylidenetriphenylphosphorane, was determined by single crystal X-ray diffraction.