2-(furan-3-yl)cyclohex-2-en-1-one | 910314-81-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(furan-3-yl)cyclohex-2-en-1-one
• CAS: 910314-81-7
• 化学式: C₁₀H₁₀O₂
• 分子量: 162.188
• InChiKey: WOVIUUITADZNOC-UHFFFAOYSA-N

物化性质

• 沸点：
  296.9±39.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(furan-3-yl)cyclohex-2-en-1-one 、 甲胩 在 molecular sieve 、 氯化二乙基铝 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 18.0h， 以37%的产率得到4,5-bis(methylamino)-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one
  参考文献：
  名称：

  Synthesis of Novel Heterocyclic Structures via Reaction of Isocyanides with S-trans-Enones

  摘要：

  The reaction of enone 1, bearing an internal nucleophilic moiety, i.e., furan or pyrrole ( X = O, NR'), with isocyanides is presented. The formation of products resulting from the reaction of the zwitterionic intermediate 2 with a second equivalent of isocyanide prior to cyclization to give 3, as well as the direct formation of 4 from 2, is described.

  DOI：

  10.1021/ol061451c
• 作为产物：
  描述：

  3-呋喃硼酸 、 2-溴-2-环己烯-1-酮 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 7.5h， 以64%的产率得到2-(furan-3-yl)cyclohex-2-en-1-one
  参考文献：
  名称：

  Synthesis of Novel Heterocyclic Structures via Reaction of Isocyanides with S-trans-Enones

  摘要：

  The reaction of enone 1, bearing an internal nucleophilic moiety, i.e., furan or pyrrole ( X = O, NR'), with isocyanides is presented. The formation of products resulting from the reaction of the zwitterionic intermediate 2 with a second equivalent of isocyanide prior to cyclization to give 3, as well as the direct formation of 4 from 2, is described.

  DOI：

  10.1021/ol061451c

文献信息

• Synthesis of Novel Heterocyclic Structures via Reaction of Isocyanides with <i>S-trans</i>-Enones
  作者：Jeffrey D. Winkler、Sylvie M. Asselin

  DOI：10.1021/ol061451c

  日期：2006.8.1

  The reaction of enone 1, bearing an internal nucleophilic moiety, i.e., furan or pyrrole ( X = O, NR'), with isocyanides is presented. The formation of products resulting from the reaction of the zwitterionic intermediate 2 with a second equivalent of isocyanide prior to cyclization to give 3, as well as the direct formation of 4 from 2, is described.