2-ethynyl-4,6-dimethyl-(2-propenyloxy)benzene | 359011-28-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-ethynyl-4,6-dimethyl-(2-propenyloxy)benzene
• 英文别名: 1-Ethynyl-3,5-dimethyl-2-prop-2-enoxybenzene；1-ethynyl-3,5-dimethyl-2-prop-2-enoxybenzene
• CAS: 359011-28-2
• 化学式: C₁₃H₁₄O
• 分子量: 186.254
• InChiKey: KMEDQCUOEIEZLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-ethynyl-4,6-dimethyl-(2-propenyloxy)benzene 、 alkaline earth salt of/the/ methylsulfuric acid 在 N-甲基吲哚酮 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到6,8-dimethyl-3a,4-dihydro-3H-cyclopenta[c]chromen-2-one
  参考文献：
  名称：

  Synthesis of Bridged Medium-Sized Rings through the Intramolecular Pauson−Khand Reaction

  摘要：

  [GRAPHICS]A series of aromatic enynes containing steric buttressing elements were prepared and evaluated in the NMO-mediated Pauson-Khand cyclization. O-Allyl systems led to the expected angularly fused products, whereas the O-butenyl and O-pentenyl derivatives afforded the unprecedented bridge systems.

  DOI：

  10.1021/ol016308s
• 作为产物：
  描述：

  2,4-二甲基-6-碘苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 丙酮 为溶剂， 反应 19.0h， 生成 2-ethynyl-4,6-dimethyl-(2-propenyloxy)benzene
  参考文献：
  名称：

  Synthesis of Bridged Medium-Sized Rings through the Intramolecular Pauson−Khand Reaction

  摘要：

  [GRAPHICS]A series of aromatic enynes containing steric buttressing elements were prepared and evaluated in the NMO-mediated Pauson-Khand cyclization. O-Allyl systems led to the expected angularly fused products, whereas the O-butenyl and O-pentenyl derivatives afforded the unprecedented bridge systems.

  DOI：

  10.1021/ol016308s

文献信息

• Synthesis of Bridged Medium-Sized Rings through the Intramolecular Pauson−Khand Reaction
  作者：Carl J. Lovely、Hemalatha Seshadri、Brian R. Wayland、A. Wallace Cordes

  DOI：10.1021/ol016308s

  日期：2001.8.9

  [GRAPHICS]A series of aromatic enynes containing steric buttressing elements were prepared and evaluated in the NMO-mediated Pauson-Khand cyclization. O-Allyl systems led to the expected angularly fused products, whereas the O-butenyl and O-pentenyl derivatives afforded the unprecedented bridge systems.