4,4-dimethyl-1-phenyl-6-hepten-1-yne-3-one | 190259-54-2

• 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: 4,4-dimethyl-1-phenyl-6-hepten-1-yne-3-one
• 英文别名: 4,4-Dimethyl-1-phenylhept-6-en-1-yn-3-one
• CAS: 190259-54-2
• 化学式: C₁₅H₁₆O
• 分子量: 212.291
• InChiKey: HMEMBPQAFJTQTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三氯溴甲烷 、 4,4-dimethyl-1-phenyl-6-hepten-1-yne-3-one 在 偶氮二异丁腈 作用下， 以91%的产率得到(5E)-5-[bromo(phenyl)methylidene]-2,2-dimethyl-4-(2,2,2-trichloroethyl)cyclopentan-1-one
  参考文献：
  名称：

  A preparation of haloalkylidene cyclopentanones

  摘要：

  A radical-based 5-exo-dig cyclisation, initiated by addition of a trichloromethyl radical to an acyclic acetylenic ketone with an appropriately positioned double bond, has been employed to produce a variety of cyclic haloalkylidene cyclopentanones in moderate to excellent yields and with a high degree of stereoselectivity for the (E)-isomer. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00503-0
• 作为产物：
  描述：

  4,4-dimethyl-1-phenyl-6-hepten-1-yn-3-ol 在 重铬酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以83%的产率得到4,4-dimethyl-1-phenyl-6-hepten-1-yne-3-one
  参考文献：
  名称：

  The rhodium-catalyzed Pauson–Khand reaction

  摘要：

  A rhodium carbonyl complex, [RhCl(CO)(2)](2), serves as a catalyst of the intra- and inter-molecular Pauson-Khand reaction. By the use of the rhodium catalyst, cyclopentenone derivatives are prepared from various 1,6- and 1,7-enynes under 1 arm of CO. Furthermore, this rhodium-catalyzed reaction is accelerated by reducing partial pressure of CO to less than 1 atm. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00835-4