heptyl | 3356-67-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: heptyl
• 英文别名: 1-heptyl radical；n-heptyl radical；Heptyl-Radikal
• CAS: 3356-67-0
• 化学式: C₇H₁₅
• 分子量: 99.1961
• InChiKey: AQMHNCQZLQUNJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  7
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  heptyl 生成 hept-3-yl radical
  参考文献：
  名称：

  Shostenko, A. G.; Tarasova, N. P.; Myshkin, V. E., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 11, p. 2065 - 2068

  摘要：

  DOI：
• 作为产物：
  描述：

  正庚烷 在 C₁₀D₂₂ 作用下， 以10%的产率得到heptyl
  参考文献：
  名称：

  缺陷在结晶有机材料的辐射化学中的作用。2. ESR光谱法研究CmH2m + 2 / C10D22正构烃混合晶体辐射解产物中溶质自由基的有效选择性形成及其对碳链差异的依赖性

  摘要：

  DOI：

  10.1021/j100364a070

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.
• On the Removal of Metallic Mirrors by Free Radicals
  作者：Francis Owen Rice、Joan Tweedell

  DOI：10.1002/bbpc.19870911003

  日期：1987.10

  AbstractLarge Radicals can be formed by passing chlorinated organic compounds at pressures of a few ram., through a furnace containing a pellet of sodium and heated to 350–400°C. It seems to us that the only radicals that will remove metallic mirrors (of tellurium or antimony, etc., previously deposited beyond the furnace) are those that can decompose into methyl or ethyl radicals plus an unsaturated molecule, without undergoing any transmigration of atoms.
• The influence of alkoxy groups on the nucleophilicity of alkyl radicals
  作者：Bernd Giese、Jacques Dupuis、Thomas Haßkerl、Jürgen Meixner

  DOI：10.1016/s0040-4039(00)81503-8

  日期：1983.1
• Shock tube study of OH reactions with linear hydrocarbons near 1100 K
  作者：J. Brooke Koffend、N. Cohen

  DOI：10.1002/(sici)1097-4601(1996)28:2<79::aid-kin2>3.0.co;2-i

  日期：——
• Structures and reactions of radical cations of linear alkanes: ESR evidence for selective deprotonation
  作者：Kazumi Toriyama、Keichi Nunome、Machio Iwasaki

  DOI：10.1021/j100284a026

  日期：1986.12