1-异丙氧基-1-甲基-乙基 | 20369-99-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-异丙氧基-1-甲基-乙基
• 英文名称: 1-Isopropoxy-1-methyl-aethyl-(1)-radikal
• 英文别名: 1-isopropoxy-1-methyl-ethyl
• CAS: 20369-99-7
• 化学式: C₆H₁₃O
• 分子量: 101.169
• InChiKey: KHZQQQNBOOUTFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-异丙氧基-1-甲基-乙基 在 peroxomonosulfate(1-) 作用下， 以 硫酸 为溶剂， 生成 甲基自由基
  参考文献：
  名称：

  Gilbert, Bruce C.; Stell, Jonathan K., Journal of the Chemical Society. Perkin transactions II, 1990, # 8, p. 1281 - 1288

  摘要：

  DOI：
• 作为产物：
  描述：

  异丙醚 在 水 、 hexachloroiridate(IV) 作用下， 生成 1-异丙氧基-1-甲基-乙基
  参考文献：
  名称：

  Radiation-chemical production and lifetimes of trialkoxymethyl carbocations in aqueous solution

  摘要：

  DOI：

  10.1021/ja00271a004

文献信息

• Estimation of Bond Dissociation Energies and Radical Stabilization Energies by ESR Spectroscopy
  作者：Jochen J. Brocks、Hans-Dieter Beckhaus、Athelstan L. J. Beckwith、Christoph Rüchardt

  DOI：10.1021/jo971940d

  日期：1998.3.1

  Correlations of various indices of the stability and reactivity of carbon-centered radicals with ESR hyperfine splitting constants have been examined. For a large number of mono-and disubstituted radicals there is a moderately good linear correlation of alpha-proton hyperfine splitting constants (a(H-alpha) with radical stabilization enthalpies (RSE) and with BDE(C-H), the C-H bond-dissociation energies for the corresponding parent compounds determined from thermodynamic and kinetic studies of C-C homolysis reactions. There is a similarly satisfactory linear correlation of a(H-alpha) with BDE(C-H) determined by Bordwell's electrochemical and acidity function method. In all cases the correlations fail for nonplanar radicals. As expected, beta-proton hyperfine splitting constants (a(HbetaMe)) for radicals with a freely rotating methyl substituent are less sensitive to deviations from planarity and give better linear correlations with RSE and BDE(C-H). The correlations cover a range of more than 20 kcal/mol and are reliable predictors of RSE and BDE(C-H) for a variety of radicals including captodative species. However, the correlations fail for significantly nonplanar radicals and for radicals with cyclic delocalized systems, e.g., cyclopentadienyl. The ratio a(HbetaMe)/a(H-alpha for suitably substituted radicals provides an index of pyramidalization and allows one to decide for which compounds values of RSE and BDE(C-H) can be confidently estimated.
• Gilbert, Bruce C.; Smith, John R. Lindsay; Taylor, Philip, Journal of the Chemical Society. Perkin transactions II, 1999, # 8, p. 1631 - 1638
  作者：Gilbert, Bruce C.、Smith, John R. Lindsay、Taylor, Philip、Ward, Steven、Whitwood, Adrian C.

  DOI：——

  日期：——
• Absolute rate constants for the reactions of tert-butoxyl with ethers: importance of the stereoelectronic effect
  作者：V. Malatesta、J. C. Scaiano

  DOI：10.1021/jo00347a015

  日期：1982.4