| 1223611-97-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1223611-97-9
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: ANYQOOIFUHYLRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  在 四丁基氟化铵 作用下， 以 水 为溶剂， 反应 2.0h， 以35%的产率得到(E)-3-fluoro-1-p-tolylpent-2-en-1-one
  参考文献：
  名称：

  Synthesis of β-fluoroenones and their reductive rearrangement in aqueous media

  摘要：

  In this paper, a simple and efficient preparation of beta-fluoroenones, as a mixture of E/Z isomers with the E-isomer as the main product, from 1,2-allenic ketones by using TBAF center dot 3H(2)O in water as a nucleophilic fluorination agent has been developed. Moreover, in exploring the synthetic applications of b-fluoroenones, an unprecedented reductive defluorination rearrangement of beta-fluoroenones toward enones under mild conditions in aqueous media was also discovered. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.065
• 作为产物：
  描述：

  1-(4-methylphenyl)-3-pentyn-1-ol 在 chromium(VI) oxide 、 叔丁基过氧化氢 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以62%的产率得到
  参考文献：
  名称：

  Synthesis of 1,2-allenic ketones through oxidation of homopropargyl alcohols with CrO3(cat.)/TBHP under MWI

  摘要：

  A CrO3 catalyzed oxidation of homopropargyl alcohols with tert-butyl hydroperoxide under microwave irradiation was found to be an efficient and rapid alternative for the preparation of 1,2-allenic ketones. The advantages of this procedure include short reaction time, less adverse impact on the environment and reasonably high efficiency. (C) 2010 Published by Elsevier B.V. on behalf of Chinese Chemical Society.

  DOI：

  10.1016/j.cclet.2010.09.032

文献信息

• Ru(III)-catalyzed oxidation of homopropargyl alcohols in ionic liquid: an efficient and green route to 1,2-allenic ketones
  作者：Xuesen Fan、Yingying Qu、Yangyang Wang、Xinying Zhang、Jianji Wang

  DOI：10.1016/j.tetlet.2010.02.053

  日期：2010.4

  An efficient and environmentally benign synthesis of 1,2-allenic ketones via RuCl(3)-catalyzed oxidation of homopropargyl alcohols in ionic liquid with tert-butyl hydroperoxide (TBHP) as the oxidant was reported for the first time. With its reasonable efficiency and green nature, this oxidation provides a novel alternative route to 1,2-allenic ketones. (c) 2010 Elsevier Ltd. All rights reserved.