isopropyl 5-butyl-4-iodo-1H-pyrazole-1-carboxylate | 1235983-65-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: isopropyl 5-butyl-4-iodo-1H-pyrazole-1-carboxylate
• 英文别名: Propan-2-yl 5-butyl-4-iodopyrazole-1-carboxylate；propan-2-yl 5-butyl-4-iodopyrazole-1-carboxylate
• CAS: 1235983-65-9
• 化学式: C₁₁H₁₇IN₂O₂
• 分子量: 336.173
• InChiKey: CYPCEJYQMZKOER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  diisopropyl 1-(2-heptyn-1-yl)hydrazine-1,2-dicarboxylate 在 N-碘代丁二酰亚胺 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以28%的产率得到isopropyl 5-butyl-4-iodo-1H-pyrazole-1-carboxylate
  参考文献：
  名称：

  Reagent-Controlled Oxidative Aromatization in Iodocyclization: Switchable Access to Dihydropyrazoles and Pyrazoles

  摘要：

  Switchable access to dihydropyrazoles and pyrazoles has been developed from common hydrazides by reagent-controlled iodocyclization. Controlling the oxidative aromatization In iodocyclization for heterocycles is reported for the first time, and this methodology maximally utilizes the dual nature of iodine.

  DOI：

  10.1021/ol101365x

文献信息

• Reagent-Controlled Oxidative Aromatization in Iodocyclization: Switchable Access to Dihydropyrazoles and Pyrazoles
  作者：Takashi Okitsu、Kana Sato、Akimori Wada

  DOI：10.1021/ol101365x

  日期：2010.8.6

  Switchable access to dihydropyrazoles and pyrazoles has been developed from common hydrazides by reagent-controlled iodocyclization. Controlling the oxidative aromatization In iodocyclization for heterocycles is reported for the first time, and this methodology maximally utilizes the dual nature of iodine.