1-Hex-2-ynoxyhex-2-yne | 356796-83-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Hex-2-ynoxyhex-2-yne
• 英文别名: 1-hex-2-ynoxyhex-2-yne
• CAS: 356796-83-3
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: IDJCOBDIVKRDOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  1-Hex-2-ynoxyhex-2-yne 在 tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate 、 二氢吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 以75%的产率得到3,4-Dibutyl-2,5-dihydrofuran
  参考文献：
  名称：

  Ruthenium-Catalyzed Transfer-Hydrogenative Cyclization of 1,6-Diynes with Hantzsch 1,4-Dihydropyridine as a H₂Surrogate

  摘要：

  AbstractThe transfer‐hydrogenative cyclization of 1,6‐diynes with Hantzsch 1,4‐dihydropyridine as a H2 surrogate was performed in the presence of a cationic ruthenium catalyst of the type [Cp′Ru(MeCN)3PF6]. Exocyclic 1,3‐dienes or their 1,4‐hydrogenation products, cycloalkenes, were selectively obtained, depending on the substrate structure and the reaction conditions.

  DOI：

  10.1002/chem.201301846
• 作为产物：
  描述：

  2-己炔-1-醇 、 1-溴-2-己炔 在 sodium hydride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 24.58h， 以45%的产率得到1-Hex-2-ynoxyhex-2-yne
  参考文献：
  名称：

  Ruthenium-Catalyzed Transfer-Hydrogenative Cyclization of 1,6-Diynes with Hantzsch 1,4-Dihydropyridine as a H₂Surrogate

  摘要：

  AbstractThe transfer‐hydrogenative cyclization of 1,6‐diynes with Hantzsch 1,4‐dihydropyridine as a H2 surrogate was performed in the presence of a cationic ruthenium catalyst of the type [Cp′Ru(MeCN)3PF6]. Exocyclic 1,3‐dienes or their 1,4‐hydrogenation products, cycloalkenes, were selectively obtained, depending on the substrate structure and the reaction conditions.

  DOI：

  10.1002/chem.201301846

文献信息

• Ruthenium-Catalyzed Transfer-Hydrogenative Cyclization of 1,6-Diynes with Hantzsch 1,4-Dihydropyridine as a H₂Surrogate
  作者：Yoshihiko Yamamoto、Shota Mori、Masatoshi Shibuya

  DOI：10.1002/chem.201301846

  日期：2013.9.2

  AbstractThe transfer‐hydrogenative cyclization of 1,6‐diynes with Hantzsch 1,4‐dihydropyridine as a H2 surrogate was performed in the presence of a cationic ruthenium catalyst of the type [Cp′Ru(MeCN)3PF6]. Exocyclic 1,3‐dienes or their 1,4‐hydrogenation products, cycloalkenes, were selectively obtained, depending on the substrate structure and the reaction conditions.