[7-(4-bromophenyl)-2-(propylsulfanyl)[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-ylidene]acetonitrile

• 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: [7-(4-bromophenyl)-2-(propylsulfanyl)[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-ylidene]acetonitrile
• 英文别名: (2E)-2-[7-(4-bromophenyl)-2-propylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-ylidene]acetonitrile
• 化学式: C₁₆H₁₃BrN₄S₂
• 分子量: 405.342
• InChiKey: FQXZOHUTSQGCRD-NTUHNPAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5-N-丙基硫代-1,3,4-噻二唑 、 6-(4-bromophenyl)-4-methylsulfanyl-2H-pyran-2-one-3-carbonitrile 反应 4.0h， 以74%的产率得到[7-(4-bromophenyl)-2-(propylsulfanyl)[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-ylidene]acetonitrile
  参考文献：
  名称：

  Synthesis of bridgedhead azolo[3,2-a]pyrimidines and imidazo[2,1-b]thiazines through ring transformation of 2H-pyran-2-ones

  摘要：

  Suitably functionalized 3-carbomethoxy/cyano-2H-pyran-2-ones are excellent synthons for the synthesis of arenes and heteroarenes of therapeutic importance. The compounds 6-aryl-3-cyano-4-methylsulfanyl-2H-pyran-2-ones have been transformed into bridgedhead azolopyrimidines and imidazothiazines through thermal and base-induced ring transformation reactions with aminoazoles and imidazolidin-2-thiones, respectively. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)01101-3

文献信息

• Synthesis of bridgedhead azolo[3,2-a]pyrimidines and imidazo[2,1-b]thiazines through ring transformation of 2H-pyran-2-ones
  作者：Vishnu Ji Ram、Pratibha Srivastava、Atul Goel

  DOI：10.1016/s0040-4020(03)01101-3

  日期：2003.9

  Suitably functionalized 3-carbomethoxy/cyano-2H-pyran-2-ones are excellent synthons for the synthesis of arenes and heteroarenes of therapeutic importance. The compounds 6-aryl-3-cyano-4-methylsulfanyl-2H-pyran-2-ones have been transformed into bridgedhead azolopyrimidines and imidazothiazines through thermal and base-induced ring transformation reactions with aminoazoles and imidazolidin-2-thiones, respectively. (C) 2003 Elsevier Ltd. All rights reserved.