2-imino-3-carbamoyl-4,5,5-trimethyl-2,5-dihydrofuran hydrochloride | 1108179-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 2-imino-3-carbamoyl-4,5,5-trimethyl-2,5-dihydrofuran hydrochloride
• 英文别名: 2-Imino-4,5,5-trimethylfuran-3-carboxamide;hydrochloride
• CAS: 1108179-92-5
• 化学式: C₈H₁₂N₂O₂*ClH
• 分子量: 204.656
• InChiKey: MMFMTQIKEUPSFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-imino-3-carbamoyl-4,5,5-trimethyl-2,5-dihydrofuran hydrochloride 在 水 作用下， 反应 2.0h， 以92%的产率得到4,5,5-trimethy-2-oxo-2,5-dihydrofuran-3-carboxamide
  参考文献：
  名称：

  The Synthesis of New 2-Iminoderivatives of 2,5-Dihydrofurans and Their Chemical Transformations

  摘要：

  The new 2-iminoderivatives of 2,5-dihydrofurans, their salts, and some products of their transformations have been synthesized by the interaction of accessible tertiary alpha-ketols with amides of cyanoacetic acid. It was showed that the data and the supposed mechanism of the above-mentioned interaction described previously in literature are incorrect and do not correspond to the reality.

  DOI：

  10.1080/00397910701739022
• 作为产物：
  描述：

  2-imino-4,5,5-trimethyl-2,5-dihydrofuran-3-carboxamide 在 盐酸 作用下， 以 苯 为溶剂， 以98%的产率得到2-imino-3-carbamoyl-4,5,5-trimethyl-2,5-dihydrofuran hydrochloride
  参考文献：
  名称：

  The Synthesis of New 2-Iminoderivatives of 2,5-Dihydrofurans and Their Chemical Transformations

  摘要：

  The new 2-iminoderivatives of 2,5-dihydrofurans, their salts, and some products of their transformations have been synthesized by the interaction of accessible tertiary alpha-ketols with amides of cyanoacetic acid. It was showed that the data and the supposed mechanism of the above-mentioned interaction described previously in literature are incorrect and do not correspond to the reality.

  DOI：

  10.1080/00397910701739022

文献信息

• Synthesis of new derivatives of 2-imino-2,5-dihydrofurans
  作者：Aida Avetisyan、Lusine Karapetyan

  DOI：10.1515/hc-2012-0113

  日期：2012.12.1

  New N-substituted 2-imino-2,5-dihydrofurans were synthesized by using several efficient approaches starting from readily available 2-imino-2,5-dihydrofurans. All new compounds were characterized by NMR and IR spectral data and elemental analysis.

  通过使用几种高效方法，从易得的2-亚亚胺-2,5-二氢呋喃合成了新的N-取代的2-亚亚胺-2,5-二氢呋喃。所有新化合物均通过核磁共振和红外光谱数据以及元素分析进行了表征。