7-bromoisochromeno[3,4-c]pyrazol-5(2H)-one | 1285694-98-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: 7-bromoisochromeno[3,4-c]pyrazol-5(2H)-one
• 英文别名: 7-bromo-3H-isochromeno[3,4-c]pyrazol-5-one
• CAS: 1285694-98-5
• 化学式: C₁₀H₅BrN₂O₂
• 分子量: 265.066
• InChiKey: AVEROZDWKMZXGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-溴-2-(羧基甲基)苯甲酸 在 氯化亚砜 、 一水合肼 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 7-bromoisochromeno[3,4-c]pyrazol-5(2H)-one
  参考文献：
  名称：

  A novel one-pot, three-component reaction for the synthesis of isocoumarin-condensed pyrazoles

  摘要：

  The one-pot, three-component reaction of substituted homophthalic anhydrides with hydrazine in DMF as solvent and reactant, at reflux temperature, afforded isochromeno[3,4-c]pyrazole-5(2H)-one derivatives in high yields. The mechanism and roles of the substrates were investigated and it was found that cyclic hydrazides were formed as intermediates. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.114

文献信息

• A novel one-pot, three-component reaction for the synthesis of isocoumarin-condensed pyrazoles
  作者：Sevil Ozcan、Cagatay Dengiz、Murat K. Deliömeroglu、Ertan Sahin、Metin Balci

  DOI：10.1016/j.tetlet.2011.01.114

  日期：2011.3

  The one-pot, three-component reaction of substituted homophthalic anhydrides with hydrazine in DMF as solvent and reactant, at reflux temperature, afforded isochromeno[3,4-c]pyrazole-5(2H)-one derivatives in high yields. The mechanism and roles of the substrates were investigated and it was found that cyclic hydrazides were formed as intermediates. (c) 2011 Elsevier Ltd. All rights reserved.