2-propyl-6-[2-(ethylsulfanyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5)-one | 116007-09-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-propyl-6-[2-(ethylsulfanyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5)-one
• 英文别名: 6-(2-ethylsulfanylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
• CAS: 116007-09-1
• 化学式: C₁₅H₂₃NO₂S
• 分子量: 281.419
• InChiKey: KXVYGGBZZONUMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  68.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-propyl-6-[2-(ethylsulfanyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5)-one 、 O-乙基羟胺 以 乙醇 为溶剂， 反应 24.0h， 以42%的产率得到2-propyl-6-[2-(ethylsulfanyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5H)-one O-ethyloxime
  参考文献：
  名称：

  Synthesis of benzimidazolone derivatives based on 2-acylcyclohexane-1,3-diones alkoximes

  摘要：

  2-(1-Alkoxyiminoalkyl)cyclohexane-1,3-diones undergo at heating Beckmann rearrangement to give 6,7-dihydro-1,3-benzoxazol-4(5H)-one derivatives that under treatment with amines in acid medium are converted into 1,5,6,7-tetrahydro-4H-benzimidazol-4-ones. In reaction of 6,7-dihydro-1,3-benzoxazol-4(5H)- ones with O-ethylhydroxylamine 4-ethoxyimino derivatives were obtained that treated with hydrochloric acid formed the corresponding N-ethoxybenzimidazolones.

  DOI：

  10.1134/s1070428008070130
• 作为产物：
  描述：

  sethoxydim 以 乙醇 为溶剂， 反应 24.0h， 以68%的产率得到2-propyl-6-[2-(ethylsulfanyl)propyl]-6,7-dihydro-1,3-benzoxazol-4(5)-one
  参考文献：
  名称：

  Synthesis of benzimidazolone derivatives based on 2-acylcyclohexane-1,3-diones alkoximes

  摘要：

  2-(1-Alkoxyiminoalkyl)cyclohexane-1,3-diones undergo at heating Beckmann rearrangement to give 6,7-dihydro-1,3-benzoxazol-4(5H)-one derivatives that under treatment with amines in acid medium are converted into 1,5,6,7-tetrahydro-4H-benzimidazol-4-ones. In reaction of 6,7-dihydro-1,3-benzoxazol-4(5H)- ones with O-ethylhydroxylamine 4-ethoxyimino derivatives were obtained that treated with hydrochloric acid formed the corresponding N-ethoxybenzimidazolones.

  DOI：

  10.1134/s1070428008070130

文献信息

• Synthesis of benzimidazolone derivatives based on 2-acylcyclohexane-1,3-diones alkoximes
  作者：D. B. Rubinov、T. A. Zheldakova、I. L. Rubinova、F. A. Lakhvich

  DOI：10.1134/s1070428008070130

  日期：2008.7

  2-(1-Alkoxyiminoalkyl)cyclohexane-1,3-diones undergo at heating Beckmann rearrangement to give 6,7-dihydro-1,3-benzoxazol-4(5H)-one derivatives that under treatment with amines in acid medium are converted into 1,5,6,7-tetrahydro-4H-benzimidazol-4-ones. In reaction of 6,7-dihydro-1,3-benzoxazol-4(5H)- ones with O-ethylhydroxylamine 4-ethoxyimino derivatives were obtained that treated with hydrochloric acid formed the corresponding N-ethoxybenzimidazolones.