1-prop-1-ynyl-2-[12-(2-prop-1-ynylphenoxy)dodecyloxy]benzene | 464895-72-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-prop-1-ynyl-2-[12-(2-prop-1-ynylphenoxy)dodecyloxy]benzene
• 英文别名: 1-Prop-1-ynyl-2-[12-(2-prop-1-ynylphenoxy)dodecoxy]benzene；1-prop-1-ynyl-2-[12-(2-prop-1-ynylphenoxy)dodecoxy]benzene
• CAS: 464895-72-5
• 化学式: C₃₀H₃₈O₂
• 分子量: 430.631
• InChiKey: PRVYQFXFVFCZQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  32
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-prop-1-ynyl-2-[12-(2-prop-1-ynylphenoxy)dodecyloxy]benzene 在 hexacarbonyl molybdenum 3-己炔 、 对氯苯酚 作用下， 以 邻二氯苯 为溶剂， 以7.4%的产率得到5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecahydrodibenzo[a,e][20]annulene
  参考文献：
  名称：

  Increased Activity of in Situ Catalysts for Alkyne Metathesis

  摘要：

  [GRAPHIC]Reaction of an enyne (1,1-diphenyl-pent-1-ene-3-yne) with a preheated mixture of Mo(CO)(6)/4-chlorophenol/3-hexyne at 130 degreesC furnished 1,1,6,6-tetraphenylhex-1,5-diene-3-yne in an 80% yield. If the starting material was heated with a mixture Of MO(CO)6 and 4-chlorophenol under identical conditions, no reaction was observed.

  DOI：

  10.1021/ol026118x
• 作为产物：
  描述：

  1,12-二溴十二烷 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 氢氧化钾 、 copper(l) iodide 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 40.0h， 生成 1-prop-1-ynyl-2-[12-(2-prop-1-ynylphenoxy)dodecyloxy]benzene
  参考文献：
  名称：

  Increased Activity of in Situ Catalysts for Alkyne Metathesis

  摘要：

  [GRAPHIC]Reaction of an enyne (1,1-diphenyl-pent-1-ene-3-yne) with a preheated mixture of Mo(CO)(6)/4-chlorophenol/3-hexyne at 130 degreesC furnished 1,1,6,6-tetraphenylhex-1,5-diene-3-yne in an 80% yield. If the starting material was heated with a mixture Of MO(CO)6 and 4-chlorophenol under identical conditions, no reaction was observed.

  DOI：

  10.1021/ol026118x

文献信息

• Increased Activity of in Situ Catalysts for Alkyne Metathesis
  作者：Glen Brizius、Uwe H. F. Bunz

  DOI：10.1021/ol026118x

  日期：2002.8.1

  [GRAPHIC]Reaction of an enyne (1,1-diphenyl-pent-1-ene-3-yne) with a preheated mixture of Mo(CO)(6)/4-chlorophenol/3-hexyne at 130 degreesC furnished 1,1,6,6-tetraphenylhex-1,5-diene-3-yne in an 80% yield. If the starting material was heated with a mixture Of MO(CO)6 and 4-chlorophenol under identical conditions, no reaction was observed.