2-heptyl radical | 3268-43-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 2-heptyl radical
• 英文别名: 2-octyl radical；1-methyl-heptyl；2-Octyl-Radikal；Octyl-2-Radikal；Octyl-(2)；2-Octyl
• CAS: 3268-43-7
• 化学式: C₈H₁₇
• 分子量: 113.223
• InChiKey: BSIAUBJSHLJIHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  8
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2-heptyl radical 在 2,2'-(1,2-肼二亚基)二[3-乙基-2,3-二氢-6-苯并噻唑磺酸 、 氧气 作用下， 以 水 为溶剂， 生成 C₈H₁₇O₂
  参考文献：
  名称：

  水溶液中烷基自由基与分子氧之间反应的动力学

  摘要：

  The rate constant for the reaction R. + O2 --> ROO. in aqueous solution was determined for 18 alkyl radicals by laser flash photolysis. The values are all at the diffusion-controlled limit and lie in the range (1.6-4.9) x 10(9) L mol-1 s-1. The radicals studied are primary, substituted primary, secondary, and benzyl radicals.

  DOI：

  10.1021/j100164a051
• 作为产物：
  描述：

  正辛烷 以 solid 为溶剂， 生成 2-heptyl radical
  参考文献：
  名称：

  Photoinduced Isomerization of Alkyl Radicals Trapped in Solid Alkanes

  摘要：

  Photoinduced isomerization of alkyl radicals trapped in gamma-irradiated 77 K solid alkanes has been studied using electron spin resonance method. Alkyl radicals trapped in the crystalline solids of n-alkanes from n-C8H18 to n-C13H28 and in the glassy solids of 2- and 3-methylheptanes have been measured. Interior radicals (-CH2CHCH2-) trapped in the orthorhombic crystals of n-alkanes are converted to primary radicals (CH2CH2-) with irradiation of 254 nm light, whereas the interior alkyl radicals in the triclinic crystals of n-alkanes are converted to penultimate alkyl radicals (CH3CHCH2-) This selectivity of photoconversion is explained by the initial formation of the primary radicals in both the crystals and thermal radical conversion to the penultimate alkyl radicals in the triclinic crystals. Selective photoisomerization to primary radicals (CH2C7H15) has also been observed for penultimate radicals (CH3CHC6H13) trapped in gamma-irradiated 2- and 3-methylheptanes. Excited alkyl radicals trapped in solid alkanes hence initially isomerize to primary radicals regardless of the structure of the solids.

  DOI：

  10.1021/j100094a016

文献信息

• Formation and homolysis of organonickel(III) complexes
  作者：Douglas G. Kelley、Adam Marchaj、Andreja Bakac、James H. Espenson

  DOI：10.1021/ja00020a020

  日期：1991.9

  The reactions of Ni(1,4,8,11-tetraazacyclotetradecane)2+ with alkyl radicals were studied. Data were collected for the R,R,S,S (or beta) and R,R,R,R (or alpha) isomers. The reactions form sigma-bonded organometallic cations, as in the equation NiL2+ + R. + H2O reversible RNiL(H2O)2+. The values of the rate constants for the forward (colligation) and reverse (homolysis) reactions were measured separately by laser flash photolysis techniques with a kinetic probe. The values of k(col) lie in the order CH3 >> primary >> secondary, and just the reverse order applies to k(hom). Thus the equilibrium constants for formation of RNiL(H2O)2+, given by k(col)/k(hom), are most favorable for methyl and least favorable for secondary alkyls. These nickel-alkyl bonds are much weaker than those in corresponding cobalt and chromium complexes. For that reason, values of k(col) vary widely with the nature of R.. Values of k(col) are considerably higher for alpha-Ni(cyclam)2+ than for the beta-isomer, and the reverse order applies to k(hom). Also, the alpha-isomer has the highest equilibrium constant for the formation equilibrium. The kinetic and thermodynamic trends can be rationalized by structural effects.
• Kinetics of the reactions between alkyl radicals and molecular oxygen in aqueous solution
  作者：Adam Marchaj、Douglas G. Kelley、Andreja Bakac、James H. Espenson

  DOI：10.1021/j100164a051

  日期：1991.5

  The rate constant for the reaction R. + O2 --> ROO. in aqueous solution was determined for 18 alkyl radicals by laser flash photolysis. The values are all at the diffusion-controlled limit and lie in the range (1.6-4.9) x 10(9) L mol-1 s-1. The radicals studied are primary, substituted primary, secondary, and benzyl radicals.
• Photoinduced Isomerization of Alkyl Radicals Trapped in Solid Alkanes
  作者：Hitoshi Koizumi、Shin Kosugi、Hiroshi Yoshida

  DOI：10.1021/j100094a016

  日期：1994.10

  Photoinduced isomerization of alkyl radicals trapped in gamma-irradiated 77 K solid alkanes has been studied using electron spin resonance method. Alkyl radicals trapped in the crystalline solids of n-alkanes from n-C8H18 to n-C13H28 and in the glassy solids of 2- and 3-methylheptanes have been measured. Interior radicals (-CH2CHCH2-) trapped in the orthorhombic crystals of n-alkanes are converted to primary radicals (CH2CH2-) with irradiation of 254 nm light, whereas the interior alkyl radicals in the triclinic crystals of n-alkanes are converted to penultimate alkyl radicals (CH3CHCH2-) This selectivity of photoconversion is explained by the initial formation of the primary radicals in both the crystals and thermal radical conversion to the penultimate alkyl radicals in the triclinic crystals. Selective photoisomerization to primary radicals (CH2C7H15) has also been observed for penultimate radicals (CH3CHC6H13) trapped in gamma-irradiated 2- and 3-methylheptanes. Excited alkyl radicals trapped in solid alkanes hence initially isomerize to primary radicals regardless of the structure of the solids.