| 1369663-82-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• CAS: 1369663-82-0
• 化学式: C₁₅H₃₂N₂O
• 分子量: 256.432
• InChiKey: FTSVKPIRFSTLGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  18.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  33.62
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-巯基苯并恶唑 、 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以62%的产率得到2-((2-ethylhexyl)thio)benzo[d]oxazole
  参考文献：
  名称：

  A Novel Synthesis of 2-Alkylthiobenzothiazoles and 2-Alkylthiobenzoxazoles

  摘要：

  3H-Benzothiazole-2-thione and 3H-benzoxazole-2-thione were selectively S-alkylated by use of O-alkylisoureas as the alkylating reagents. The reactions could be performed under mild reaction conditions in short reaction times, and high yields were obtained using O-primary-alkylisoureas, whereas low yields were obtained with sec- and tert-alkylisoureas.

  DOI：

  10.1080/10426507.2011.636229
• 作为产物：
  描述：

  2-乙基己醇 、 N,N'-二异丙基碳二亚胺 在 copper(l) chloride 作用下， 生成
  参考文献：
  名称：

  A Novel Synthesis of 2-Alkylthiobenzothiazoles and 2-Alkylthiobenzoxazoles

  摘要：

  3H-Benzothiazole-2-thione and 3H-benzoxazole-2-thione were selectively S-alkylated by use of O-alkylisoureas as the alkylating reagents. The reactions could be performed under mild reaction conditions in short reaction times, and high yields were obtained using O-primary-alkylisoureas, whereas low yields were obtained with sec- and tert-alkylisoureas.

  DOI：

  10.1080/10426507.2011.636229