5-amino-4-phenylthiophthalodinitrile | 620175-17-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-amino-4-phenylthiophthalodinitrile
• 英文别名: 1,2-Benzenedicarbonitrile, 4-amino-5-(phenylthio)-；4-amino-5-phenylsulfanylbenzene-1,2-dicarbonitrile
• CAS: 620175-17-9
• 化学式: C₁₄H₉N₃S
• 分子量: 251.312
• InChiKey: HYQZIHBZWCKRSR-UHFFFAOYSA-N

物化性质

• 沸点：
  508.2±50.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-amino-4-phenylthiophthalodinitrile 在 copper diacetate 、 sodium acetate 作用下， 反应 2.5h， 生成
  参考文献：
  名称：

  摘要：

  New phenylthio-substituted phthalodinitriles have been synthesized: 5-amino-4-phenylthio-, 5-acetylamino-4-phenylthio-, 5-octanoylamino-4-phenylthio-, 5-phenoxy-4-phenylthio-, 5-(4-carboxy-phenoxy)-4-phenylthio-, 5-(4-tert-butylphenoxy)-4-phenylthio-, and 4,5-bis(phenylthio)phthalodinitriles. Their complexes with metals have been prepared and examined by spectral methods.

  DOI：

  10.1023/a:1024760525889
• 作为产物：
  描述：

  5-nitro-4-(phenylthio)phthalodinitrile 在 盐酸 、 tin(ll) chloride 作用下， 反应 2.0h， 以71%的产率得到5-amino-4-phenylthiophthalodinitrile
  参考文献：
  名称：

  摘要：

  New phenylthio-substituted phthalodinitriles have been synthesized: 5-amino-4-phenylthio-, 5-acetylamino-4-phenylthio-, 5-octanoylamino-4-phenylthio-, 5-phenoxy-4-phenylthio-, 5-(4-carboxy-phenoxy)-4-phenylthio-, 5-(4-tert-butylphenoxy)-4-phenylthio-, and 4,5-bis(phenylthio)phthalodinitriles. Their complexes with metals have been prepared and examined by spectral methods.

  DOI：

  10.1023/a:1024760525889

文献信息

• ——
  作者：O. V. Balakireva、V. E. Maizlish、G. P. Shaposhnikov

  DOI：10.1023/a:1024760525889

  日期：——

  New phenylthio-substituted phthalodinitriles have been synthesized: 5-amino-4-phenylthio-, 5-acetylamino-4-phenylthio-, 5-octanoylamino-4-phenylthio-, 5-phenoxy-4-phenylthio-, 5-(4-carboxy-phenoxy)-4-phenylthio-, 5-(4-tert-butylphenoxy)-4-phenylthio-, and 4,5-bis(phenylthio)phthalodinitriles. Their complexes with metals have been prepared and examined by spectral methods.