1-(5-乙炔基-2-甲基-4,5-二氢-3-呋喃基)乙酮 | 75822-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 中文名称: 1-(5-乙炔基-2-甲基-4,5-二氢-3-呋喃基)乙酮
• 英文名称: 3-acetyl-2-methyl-5-ethynyl-4,5-dihydrofuran
• 英文别名: 1-(5-Ethynyl-2-methyl-4,5-dihydrofuran-3-yl)ethan-1-one；1-(2-ethynyl-5-methyl-2,3-dihydrofuran-4-yl)ethanone
• CAS: 75822-59-2
• 化学式: C₉H₁₀O₂
• mdl: MFCD09263898
• 分子量: 150.177
• InChiKey: GCFDUENSDPVSFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090

反应信息

• 作为产物：
  描述：

  vinylacetylene, dicobalt-hexacarbonyl complex 、 乙酰丙酮 在 copper diacetate 、 manganese triacetate 作用下， 以 溶剂黄146 为溶剂， 生成 1-(5-乙炔基-2-甲基-4,5-二氢-3-呋喃基)乙酮
  参考文献：
  名称：

  μ-[3-4-η-(1-Alken-3-yne)hexacarbonyldicobalt complexes: Radical cyclocondensation mediated by manganese(III) acetate

  摘要：

  A regioselective pathway for the radical reaction of 1-alken-3-ynes with beta-dicarbonyl compounds, mediated by Mn(OAc)3, can be achieved by protection of the substrate triple bond with a hexacarbonyldicobalt moiety. Dihydrofuran and hexahydrobenzofuran derivatives are formed by intermolecular oxidative cyclization of intermediate cobalt-complexed propargyl radicals.

  DOI：

  10.1016/0022-328x(92)83037-i

文献信息

• Synthesis of 4,5-dih ydrofuran derivatives by the reaction of acetylace tone with conjugated alkenes
  作者：G. G. Melikyan、D. A. Mkrtchyan、Sh. O. Badanyan

  DOI：10.1007/bf00557734

  日期：1980.7
• MELIKYAN G. G.; MKRTCHYAN D. A.; BADANYAN SH. O., XIMIYA GETEROTSIKL. SOED., 1980, HO 7, 884-887
  作者：MELIKYAN G. G.、 MKRTCHYAN D. A.、 BADANYAN SH. O.

  DOI：——

  日期：——
• μ-[3-4-η-(1-Alken-3-yne)hexacarbonyldicobalt complexes: Radical cyclocondensation mediated by manganese(III) acetate
  作者：Gagik G. Melikyan、Otto Vostrowsky、Walter Bauer、Hans Jürgen Bestmann

  DOI：10.1016/0022-328x(92)83037-i

  日期：1992.1

  A regioselective pathway for the radical reaction of 1-alken-3-ynes with beta-dicarbonyl compounds, mediated by Mn(OAc)3, can be achieved by protection of the substrate triple bond with a hexacarbonyldicobalt moiety. Dihydrofuran and hexahydrobenzofuran derivatives are formed by intermolecular oxidative cyclization of intermediate cobalt-complexed propargyl radicals.