3-biphenyl(piperidino)methanethione | 72116-32-6

• 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: 3-biphenyl(piperidino)methanethione
• 英文别名: (3-Phenylphenyl)-piperidin-1-ylmethanethione
• CAS: 72116-32-6
• 化学式: C₁₈H₁₉NS
• 分子量: 281.422
• InChiKey: IFZMKEOBZKHZGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-biphenyl(piperidino)methanethione 、 溴乙酸 以100%的产率得到
  参考文献：
  名称：

  WERBEL L. M.; MCNAMARA D. J.; COLBRY N. L.; JOHNSON J. L.; DEGNAN M. J.; +, J. HETEROCYCL. CHEM., 1979, 16, NO 5, 881-894

  摘要：

  DOI：
• 作为产物：
  描述：

  3-苯基苯甲酸 在 diphosphorus pentasulfide 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 30.0h， 生成 3-biphenyl(piperidino)methanethione
  参考文献：
  名称：

  Expeditious Synthesis of 2-Aryl Substituted Imidazolines and Imidazoles

  摘要：

  A versatile and efficient method for the synthesis of 2-aryl substituted imidazolines and imidazoles bearing a carboxylate group on C-4 is reported. Three different synthetic pathways were explored, compared and optimized. The selected procedure involves condensation of methyl 2,3-diaminopropionate with different imino ethers. The ring closure, monitored by LC-MS analysis, was facilitated by heating at reflux in ethanol leading to increase the rate of cyclization.

  DOI：

  10.3987/com-06-10708

文献信息

• Expeditious Synthesis of 2-Aryl Substituted Imidazolines and Imidazoles
  作者：Sylvia Lauwagie、R使is Millet、Jean Pommery、Patrick Depreux、Jean-Pierre H始ichart

  DOI：10.3987/com-06-10708

  日期：——

  A versatile and efficient method for the synthesis of 2-aryl substituted imidazolines and imidazoles bearing a carboxylate group on C-4 is reported. Three different synthetic pathways were explored, compared and optimized. The selected procedure involves condensation of methyl 2,3-diaminopropionate with different imino ethers. The ring closure, monitored by LC-MS analysis, was facilitated by heating at reflux in ethanol leading to increase the rate of cyclization.
• WERBEL L. M.; MCNAMARA D. J.; COLBRY N. L.; JOHNSON J. L.; DEGNAN M. J.; +, J. HETEROCYCL. CHEM., 1979, 16, NO 5, 881-894
  作者：WERBEL L. M.、 MCNAMARA D. J.、 COLBRY N. L.、 JOHNSON J. L.、 DEGNAN M. J.、 +

  DOI：——

  日期：——