2-oxo-2-(6,8-dibromo-2-oxo-2H-chromen-3-yl)ethyl hydrazinecarbimidothioate hydrobromide | 1257241-59-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-oxo-2-(6,8-dibromo-2-oxo-2H-chromen-3-yl)ethyl hydrazinecarbimidothioate hydrobromide
• 英文别名: [2-(6,8-dibromo-2-oxochromen-3-yl)-2-oxoethyl] N'-aminocarbamimidothioate;hydrobromide
• CAS: 1257241-59-0
• 化学式: BrH*C₁₂H₉Br₂N₃O₃S
• 分子量: 516.008
• InChiKey: PEUXULHPAHEJAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  α-乙酰基-γ-丁内酯 、 2-oxo-2-(6,8-dibromo-2-oxo-2H-chromen-3-yl)ethyl hydrazinecarbimidothioate hydrobromide 在 三氯氧磷 作用下， 反应 2.0h， 以46%的产率得到5-[4-(6,8-dibromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl]-7-methyl-5,6-diazaspiro[2.4]hept-6-en-4-one
  参考文献：
  名称：

  Heterocyclizations via POCl₃-Based Multicomponent Reactions: A New Approach to One-Pot Synthesis of a New Spirosystem, 7-Methyl-5-[4-(aryl/heteryl)thiazol-2-yl]-5,6-diazaspiro[2,4]hept-6-en-4-ones

  摘要：

  A novel multicomponent reaction involving phenacylbromide, thiosemicarbazide, and -acetyl--butyrolactone in the presence of POCl3, forming 7-methyl-5-[4-(aryl/heteryl)thiazole-2-yl]-5,8-diaza spiro[2,4]hept-6-en-4-ones in good yields, is described.

  DOI：

  10.1080/00397910903372341
• 作为产物：
  描述：

  6,8-二溴-3-(2-溴乙酰基)香豆素 、 氨基硫脲 以 乙醇 为溶剂， 反应 2.0h， 以88%的产率得到2-oxo-2-(6,8-dibromo-2-oxo-2H-chromen-3-yl)ethyl hydrazinecarbimidothioate hydrobromide
  参考文献：
  名称：

  Heterocyclizations via POCl₃-Based Multicomponent Reactions: A New Approach to One-Pot Synthesis of a New Spirosystem, 7-Methyl-5-[4-(aryl/heteryl)thiazol-2-yl]-5,6-diazaspiro[2,4]hept-6-en-4-ones

  摘要：

  A novel multicomponent reaction involving phenacylbromide, thiosemicarbazide, and -acetyl--butyrolactone in the presence of POCl3, forming 7-methyl-5-[4-(aryl/heteryl)thiazole-2-yl]-5,8-diaza spiro[2,4]hept-6-en-4-ones in good yields, is described.

  DOI：

  10.1080/00397910903372341

文献信息

• Heterocyclizations via POCl₃-Based Multicomponent Reactions: A New Approach to One-Pot Synthesis of a New Spirosystem, 7-Methyl-5-[4-(aryl/heteryl)thiazol-2-yl]-5,6-diazaspiro[2,4]hept-6-en-4-ones
  作者：V. Rajeswar Rao、V. Ravinder Reddy

  DOI：10.1080/00397910903372341

  日期：2010.9.30

  A novel multicomponent reaction involving phenacylbromide, thiosemicarbazide, and -acetyl--butyrolactone in the presence of POCl3, forming 7-methyl-5-[4-(aryl/heteryl)thiazole-2-yl]-5,8-diaza spiro[2,4]hept-6-en-4-ones in good yields, is described.