1-(p-methylphenyl)-2-nonyne

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(p-methylphenyl)-2-nonyne
• 英文别名: 1-Methyl-4-non-2-ynylbenzene
• 化学式: C₁₆H₂₂
• 分子量: 214.351
• InChiKey: YFEWSLIBNIYXDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-(4-methylphenyl)oct-2-yn-1-ol 在 三乙基硅烷 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.25h， 以96%的产率得到1-(p-methylphenyl)-2-nonyne
  参考文献：
  名称：

  Heteropolyacid-Catalyzed Direct Deoxygenation of Propargyl and Allyl Alcohols

  摘要：

  The combination of H-3[PW12O40]center dot nH(2)O (1 mol %) and Et3SiH led to the direct catalytic deoxygenation of propargyl alcohols, in which proper solvent selection Cl(CH2)(2)Cl vs CF3CH2OH was the key to obtaining better product yields. Under similar conditions, the deoxygenation of allyl alcohols proceeded to give thermodynamically stable alkenes with migration of the double bonds in good yields.

  DOI：

  10.1021/jo300889p

文献信息

• Palladium-catalyzed cross-coupling reaction of alkynylzincs with benzylic electrophiles
  作者：Mingxing Qian、Ei-ichi Negishi

  DOI：10.1016/j.tetlet.2005.02.137

  日期：2005.4

  The reaction of alkynylzinc bromides with benzyl bromides or chlorides in the presence of a catalytic amount of Pd(DPE-phos)Cl-2 in THF at 23 degrees C cleanly produces the corresponding benzylated alkynes in 73-97% yields. With 10(-3) mol% of Pd(DPE-phos)Cl-2, the maximum turnover number of 7.1 x 10(4) has been observed for the formation of PhC CCH2Ph. (c) 2005 Published by Elsevier Ltd.
• Heteropolyacid-Catalyzed Direct Deoxygenation of Propargyl and Allyl Alcohols
  作者：Masahiro Egi、Takuya Kawai、Megumi Umemura、Shuji Akai

  DOI：10.1021/jo300889p

  日期：2012.8.17

  The combination of H-3[PW12O40]center dot nH(2)O (1 mol %) and Et3SiH led to the direct catalytic deoxygenation of propargyl alcohols, in which proper solvent selection Cl(CH2)(2)Cl vs CF3CH2OH was the key to obtaining better product yields. Under similar conditions, the deoxygenation of allyl alcohols proceeded to give thermodynamically stable alkenes with migration of the double bonds in good yields.