5-(nitromethoxy)pentan-2-yl acetate | 1005771-75-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 5-(nitromethoxy)pentan-2-yl acetate
• CAS: 1005771-75-4
• 化学式: C₈H₁₅NO₅
• 分子量: 205.211
• InChiKey: SEZRRUVSSHMGAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-甲基四氢呋喃 、 硝基甲烷 、 碘苯二乙酸 在 potassium fluoride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 4-(nitromethoxy)pentyl acetate 、 5-(nitromethoxy)pentan-2-yl acetate
  参考文献：
  名称：

  Rhodium(II) catalysed three-component coupling: a novel reaction of in situ generated iodonium ylides

  摘要：

  Cyclic ethers are cleaved in the presence of nitromethane, a base, a hypervalent iodine compound and a Rh(II) catalyst to give nitromethoxy acetates in up to 71% isolated yields. The reaction is a three-component coupling of an ether with a nitromethane derived carbenoid and a carboxylate group originating from the hypervalent iodine compound. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.021

文献信息

• Rhodium(II) catalysed three-component coupling: a novel reaction of in situ generated iodonium ylides
  作者：Hanne Therese Bonge、Tore Hansen

  DOI：10.1016/j.tetlet.2007.11.021

  日期：2008.1

  Cyclic ethers are cleaved in the presence of nitromethane, a base, a hypervalent iodine compound and a Rh(II) catalyst to give nitromethoxy acetates in up to 71% isolated yields. The reaction is a three-component coupling of an ether with a nitromethane derived carbenoid and a carboxylate group originating from the hypervalent iodine compound. (C) 2007 Elsevier Ltd. All rights reserved.