sethoxydim

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sethoxydim
• 英文别名: 2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione；2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione
• 化学式: C₁₇H₂₉NO₃S
• 分子量: 327.488
• InChiKey: NMHGOXYVOKDNHF-NBVRZTHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  81
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  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.