cyclohex-2-enyl 1-methyl-1H-indazole-3-carboxylate | 1383677-55-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: cyclohex-2-enyl 1-methyl-1H-indazole-3-carboxylate
• 英文别名: Cyclohex-2-en-1-yl 1-methyl-1H-indazole-3-carboxylate；cyclohex-2-en-1-yl 1-methylindazole-3-carboxylate
• CAS: 1383677-55-1
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: OGGAALNLRNKHQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  1-甲基-3-吲唑甲酸 、 环己烯 在 叔丁基过氧化氢 、 四丁基碘化铵 作用下， 以 苯 为溶剂， 反应 8.0h， 以93%的产率得到cyclohex-2-enyl 1-methyl-1H-indazole-3-carboxylate
  参考文献：
  名称：

  Tetrabutylammonium Iodide Catalyzed Synthesis of Allylic Ester with tert-Butyl Hydroperoxide as an Oxidant

  摘要：

  A metal-free C H oxidation for the construction of allylic esters has been developed. The use of a commercially available and inexpensive catalyst and oxidant, and readily available starting materials, coupled with the operational simplicity of the reaction, renders the methodology a useful alternative to other approaches typically employed in the synthesis of allylic esters.

  DOI：

  10.1021/ol3013606

文献信息

• Tetrabutylammonium Iodide Catalyzed Synthesis of Allylic Ester with <i>tert</i>-Butyl Hydroperoxide as an Oxidant
  作者：Erbo Shi、Ying Shao、Shulin Chen、Huayou Hu、Zhaojun Liu、Jie Zhang、Xiaobing Wan

  DOI：10.1021/ol3013606

  日期：2012.7.6

  A metal-free C H oxidation for the construction of allylic esters has been developed. The use of a commercially available and inexpensive catalyst and oxidant, and readily available starting materials, coupled with the operational simplicity of the reaction, renders the methodology a useful alternative to other approaches typically employed in the synthesis of allylic esters.