1-(4-Hexanoyl-phenyl)-hexan-1-one | 165727-37-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Hexanoyl-phenyl)-hexan-1-one
• 英文别名: 1-(4-Hexanoylphenyl)hexan-1-one
• CAS: 165727-37-7
• 化学式: C₁₈H₂₆O₂
• 分子量: 274.403
• InChiKey: UBTITTWWAHWQQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-Hexanoyl-phenyl)-hexan-1-one 在 palladium on activated charcoal 高氯酸 、 氢气 作用下， 以 溶剂黄146 为溶剂， 80.0 ℃ 、340.0 kPa 条件下， 反应 6.0h， 以78.6%的产率得到1,4-二(正己基)苯
  参考文献：
  名称：

  Issac, Yvette A.; El-Zein, S. M.; Barakat, Y., Revue Roumaine de Chimie, 1995, vol. 40, # 5, p. 463 - 470

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-di(hex-1-yn-1-yl)benzene 在 水 、 silver trifluoromethanesulfonate 作用下， 以 氯苯 为溶剂， 以45 %的产率得到1-(4-Hexanoyl-phenyl)-hexan-1-one
  参考文献：
  名称：

  Accurate Control on the Nucleophilic Addition of H2O to Internal Alkynes: An Ag catalyzed Regiospecific Hydration Strategy

  摘要：

  In the absence of directing auxiliaries, catalytic addition of nucleophiles to unactivated alkynes with accurate control of regioselectivity remains an ongoing challenge in organic chemistry. Herein, we realized a Ag‐catalysed regiospecific hydration process of unactivated alkynes. Computational investigations offered insights into the origin of the regiochemical outcome. The practicability and efficacy of the protocol was exemplified by its simple reaction conditions without incorporation of acidic additives, as well as the toler‐ance of a wide range of alkynes equipped with various functional groups, leading to the ketone products in up to 98% yield. Direct modification of bioactive organic molecules and gram‐scale experiments further showcased the application potential of the strategy. The catalyst control principles are expected to advance efforts towards the development of general site‐selective addition of nucleophile to unsaturated substrates, removing the requirement for neighboring activating groups.

  DOI：

  10.1002/cctc.202400735

文献信息

• PLASTICIZER COMPOSITION
  申请人：LG Chem, Ltd.

  公开号：EP2840113B1

  公开（公告）日：2017-04-19
• METHOD FOR MANUFACTURING ESTER COMPOSITION, AND RESIN COMPOSITION
  申请人：LG Chem, Ltd.

  公开号：EP2837646B1

  公开（公告）日：2017-08-30