2-(2-Iodo-benzoyl)-cyclohexane-1,3-dione | 88562-10-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-Iodo-benzoyl)-cyclohexane-1,3-dione
• 英文别名: 2-(2-Iodobenzoyl)cyclohexane-1,3-dione
• CAS: 88562-10-1
• 化学式: C₁₃H₁₁IO₃
• 分子量: 342.133
• InChiKey: OGHGLYVCKWVCJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3-环己二酮 在 potassium cyanide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-(2-Iodo-benzoyl)-cyclohexane-1,3-dione
  参考文献：
  名称：

  SAR studies of 2- o -substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase

  摘要：

  Inhibition studies of 4-hydroxyphenylpyruvate dioxygenase (HPPD) with various synthesized 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones suggest that the presence of a strongly electronegative group at the ortho position and the conformation of the benzene ring moiety on the benzoylcyclohexane-1,3-dione inhibitors are crucial for potent HPPD inhibition. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00115-3

文献信息

• MICHAELY, WILLIAM J.;KRAATZ, GARY W.
  作者：MICHAELY, WILLIAM J.、KRAATZ, GARY W.

  DOI：——

  日期：——
• SAR studies of 2- o -substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase
  作者：Yung-lung Lin、Chung-shieh Wu、Shean-woei Lin、Ding-yah Yang

  DOI：10.1016/s0960-894x(00)00115-3

  日期：2000.5

  Inhibition studies of 4-hydroxyphenylpyruvate dioxygenase (HPPD) with various synthesized 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones suggest that the presence of a strongly electronegative group at the ortho position and the conformation of the benzene ring moiety on the benzoylcyclohexane-1,3-dione inhibitors are crucial for potent HPPD inhibition. (C) 2000 Elsevier Science Ltd. All rights reserved.