| 34438-71-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 34438-71-6；45683-18-9；50781-28-7
• 化学式: C₈H₇O
• 分子量: 119.143
• InChiKey: BICBBBMHITZANJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-碘苯乙酮 在 苯并蒽酮 、 tetrabutylammonium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Enemaerke, Rasmus J.; Christensen, Torben B.; Jensen, Henrik, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2001, # 9, p. 1620 - 1630

  摘要：

  DOI：

文献信息

• Intramolecular electron transfer and dehalogenation of anion radicals. 4. Haloacetophenones and related compounds
  作者：D. Behar、P. Neta

  DOI：10.1021/ja00399a024

  日期：1981.5

  Halogen-substituted acetophenones and several other carbonyls and carboxyl derivatives were reduced with e/sub aq//sup -/in irradiated aqueous solutions to produce the anion radicals. In certain cases, reduction by (CH/sub 3/)/sub 2/CO/sup -/ was also used. The anion radicals undergo intramolecular electron transfer and dehalogenation to yield inorganic halide ions. The rates of these reactions varied over

  卤素取代的苯乙酮和其他几种羰基和羧基衍生物在辐照水溶液中用 e/sub aq//sup -/ 还原以产生阴离子自由基。在某些情况下，还使用了 (CH/sub 3/)/sub 2/CO/sup -/ 的还原。阴离子自由基进行分子内电子转移和脱卤，产生无机卤离子。这些反应的速率在很宽的范围内变化 (10/sup 1/-10/sup 7/s/sup -1/) 并且强烈依赖于卤素和其他取代基的性质以及它们在分子中的相对位置. 此处获得的结果与先前对氰基和硝基衍生物的测量一起讨论。发现脱卤的速率取决于环上其他取代基的电子亲和力。哈米特' s 取代基常数与观察到的速率无关。然而，从 ESR 参数导出的阴离子自由基中的自旋密度分布产生了良好的定性相关性。带有卤素的环碳上自旋密度的增加伴随着 CX 键断裂速率的增加。在这种情况下，自旋密度代表负电荷密度，因为阴离子自由基的质子化在自旋密度的微小变化中会导致脱卤速率的急剧下降。3
• Solvent Effects on the Reduction Mechanism of 9-Chloroanthracene, 3-Nitrobenzyl Chloride and 3-Chloroacetophenone.
  作者：Henrik Jensen、Kim Daasbjerg、Rita G. Hazell、Hans Jørgen Jacobsen、Mikael Bols、Carole C. Perry、Teófilo Rojo

  DOI：10.3891/acta.chem.scand.52-1151

  日期：——

  The reduction mechanism of 9-chloroanthracene, 3-nitrobenzyl chloride and 3-chloroacetophenone has been investigated in detail by means of cyclic voltammetry and controlled potential bulk electrolysis. The investigation was carried out in a number of aprotic solvents in order to elucidate the importance of solvation phenomena on the various parameters associated with the reaction mechanism, i.e., cleavage, hydrogen abstraction, protonation and dimerization rate constants as well as standard potentials. In this connection, the influence of the supporting electrolyte in terms of ion pairing and double layer effects has been considered. For the radical anions of 9-chloroanthracene and 3-nitrobenzyl chloride the logarithm of the cleavage rate constant shows a linear dependence on the Gutmann acceptor number and donor number, respectively, whereas no clearcut correlation can be observed in the case of the radical anion of 3-chloroacetophenone. The rate constant obtained for the protonation reaction between 3-nitrobenzyl anion and 3-nitrobenzyl chloride is to an even higher extent influenced by the nature of the solvent. The trends in the solvent effects are discussed.
• Rapid cleavage reactions of haloaromatic radical anions measured with fast-scan cyclic voltammetry
  作者：David O. Wipf、R. Mark Wightman

  DOI：10.1021/j100347a074

  日期：1989.5
• Photoinduced Radical Cleavage of Acylphenyl Halides: Different Mechanisms for C-I and C-Br Bonds
  作者：Peter J. Wagner、James Sedon、Carol Waite、Anna Gudmundsdottir

  DOI：10.1021/ja00101a052

  日期：1994.11
• Enemaerke, Rasmus J.; Christensen, Torben B.; Jensen, Henrik, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2001, # 9, p. 1620 - 1630
  作者：Enemaerke, Rasmus J.、Christensen, Torben B.、Jensen, Henrik、Daasbjerg, Kim

  DOI：——

  日期：——