Heptadeutero-benzyl-Radikal | 2154-55-4

• 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: Heptadeutero-benzyl-Radikal
• 英文别名: benzyl radical-d7；benzyl-d7 radical；dideuterio-pentadeuteriophenyl-methyl；Heptadeuterobenzyl-Radikal；Perdeutero-benzyl-Radikal；Benzylradikal-d(7)
• CAS: 2154-55-4
• 化学式: C₇H₇
• 分子量: 98.077
• InChiKey: SLRMQYXOBQWXCR-QMUWOJKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氘代甲苯 在 氯 作用下， 生成 Heptadeutero-benzyl-Radikal
  参考文献：
  名称：

  气相苄基的多光子电离检测

  摘要：

  DOI：

  10.1021/j100270a005

文献信息

• Kinetic Study of the Phthalimide <i>N</i>-Oxyl Radical in Acetic Acid. Hydrogen Abstraction from Substituted Toluenes, Benzaldehydes, and Benzyl Alcohols
  作者：Nobuyoshi Koshino、Basudeb Saha、James H. Espenson

  DOI：10.1021/jo0348017

  日期：2003.11.1

  N-oxyl (PINO) radical was generated by the oxidation of N-hydroxyphthalimide (NHPI) with Pb(OAc)4 in acetic acid. The molar absorptivity of PINO* is 1.36 x 10(3) L mol(-1) cm(-1) at lambda(max) 382 nm. The PINO radical decomposes slowly with a second-order rate constant of 0.6 +/- 0.1 L mol(-1) s(-1) at 25 degrees C. The reactions of PINO(*) with substituted toluenes, benzaldehydes, and benzyl alcohols

  邻苯二甲酰亚胺N-氧基（PINO）自由基是通过在乙酸中用Pb（OAc）4氧化N-羟基邻苯二甲酰亚胺（NHPI）生成的。PINO *在λ（最大）382 nm处的摩尔吸收率为1.36 x 10（3）L mol（-1）cm（-1）。PINO自由基在25摄氏度下以0.6 +/- 0.1 L mol（-1）s（-1）的二级速率常数缓慢分解。PINO（*）与取代的甲苯，苯甲醛和苄醇的反应在氩气气氛下进行了研究。通过Hammett分析将二阶速率常数关联起来。与甲苯和苄醇的反应与sigma +的相关性更好（rho = -1.3和-0.41），与苯甲醛的反应与sigma +的相关性更好（rho = -0.91）。还研究了动力学同位素效应，并获得了相当大的k（H）/ k（D）值：25.0（对二甲苯），27。在25摄氏度下为1（甲苯），27.5（苯甲醛）和16.9（苄醇）。从与对二甲苯和对二甲苯-d（10​​）
• Structure and reactivity of perfluorinated branched α-ketoradicals
  作者：B.L. Tumanskii、E.N. Shaposhnikova、E.A. Avetisyan、R.S. Sterlin

  DOI：10.1016/s0022-1139(98)00319-4

  日期：1999.6

  Fluoroaliphatic hydroxyketoradicals prepared by photochemical reduction of the corresponding α-diketones and (i-C3F7)2C⋅C(O)CF3 react with hydrogen abstraction (according to ESR data). The hydroxyketoradicals are shown to dimerize reversibly, and the dimerization rate decreases in the presence of polyfluorinated alcohols due to the formation of radical–alcohol complexes.

  氟脂hydroxyketoradicals制备由相应的α二酮的光化学还原和（我-C 3 ˚F 7）2 Ç ⋅ C（O）CF 3与夺氢反应（根据ESR数据）。羟基酮三醇可逆地二聚，由于存在自由基-醇配合物，在存在多氟醇的情况下，二聚率降低。
• One-electron oxidation of alkylbenzenes in acetonitrile by photochemically produced nitrate radical: evidence for an inner-sphere mechanism
  作者：Tiziana Del Giacco、Enrico Baciocchi、Steen Steenken

  DOI：10.1021/j100123a003

  日期：1993.5

  The reaction between NO3. and polyalkylbenzenes was studied using 308-nm laser flash photolysis of cerium(IV) ammonium nitrate in the presence of the alkylbenzenes in acetonitrile solution. For all benzenes, with the exception of monoalkylbenzenes and o- and m-xylene, the reaction with NO3. was found to yield the corresponding radical cations and to proceed in an apparently straightforward bimolecular manner. For monoalkylbenzenes and o- and m-xylene, radicals were seen which are derived from the parents by formal loss of H. from the side chain of the aromatic. This reaction proceeds via a complex between the aromatic and NO3. with the decomposition of the complex being rate determining at higher concentrations of aromatic (rate constants for decomposition between 6 x 10(5) and 4 x 10(7) s-1). In the complex, electron transfer from the aromatic to NO3. is suggested to be concerted with deprotonation of the incipient radical cation. Formation of a complex between NO3. and aromatic is likely even in those cases where radical cations are observed, with the assumption that in these cases the complex decomposition rate is greater-than-or-equal-to 6 x 10(7) s-1.
• Formation of deuterium atoms in the pyrolysis of toluene-d8 behind shock waves. Kinetics of the reaction C7D8 + H .fwdarw. C7D7H + D
  作者：V. Subba Rao、Gordon B. Skinner

  DOI：10.1021/j150663a035

  日期：1984.9
• Multiphoton ionization detection of gas-phase benzyl radicals
  作者：Mark A. Hoffbauer、Jeffrey W. Hudgens

  DOI：10.1021/j100270a005

  日期：1985.11