1-methylbicyclo<1.1.1>pentane | 10555-48-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: 1-methylbicyclo<1.1.1>pentane
• 英文别名: 1-Methylbicyclo[1.1.1]pentane
• CAS: 10555-48-3
• 化学式: C₆H₁₀
• 分子量: 82.1454
• InChiKey: MEBMXMFQKITUEI-UHFFFAOYSA-N

物化性质

• 沸点：
  59.7±7.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  4-methylbicyclo[2.1.1]hexan-3-ol 在 chromic acid on silica gel 、 汞 作用下， 以 乙醚 为溶剂， 反应 1.17h， 生成 1-methylbicyclo<1.1.1>pentane
  参考文献：
  名称：

  Synthesis and carbon-13 NMR analysis of a series of bridgehead-substituted polycycloalkanes: carbon-13-labeled methyl as the substituent

  摘要：

  DOI：

  10.1021/ja00316a045

文献信息

• Round-trip radical probes: ring cleavage of the bicyclo[1.1.1]pentylcarbinyl radical
  作者：Bruce P. Branchaud、Anne G. Glenn、Hans C. Stiasny

  DOI：10.1021/jo00023a034

  日期：1991.11

  The novel concept of a round-trip probe for radical intermediates in reaction mechanisms is proposed and defined in this paper. A round-trip radical probe undergoes skeletal rearrangements such that the radical is returned to its site of origin. These probes should be especially useful for the study of enzyme mechanisms, since the special requirements of the active site may lead to ambiguous results using standard nonround-trip radical probes. The ring cleavages and rearrangements of the bicyclo[1.1.1]pentylcarbinyl radical are described as the prototypical round-trip radical probe. We have measured the rate constant for the ring opening of the bicyclo[1.1.1]pentylcarbinyl radical over the temperature range -42 to 60-degrees-C and have determined a temperature-dependent function for the ring opening of log (k3/s-1) = 12.78 (+/- 0.26) - 7.79 (+/- 0.35)/THETA and a rate constant for ring opening of 1.15 x 10(7) s-1 at 25-degrees-C.
• Bicyclo[1.1.1]pentane¹
  作者：Kenneth B. Wiberg、Daniel S. Connor

  DOI：10.1021/ja00971a025

  日期：1966.10
• DELLA, E. W.;PIGOU, P. E., J. AMER. CHEM. SOC., 1984, 106, N 4, 1085-1092
  作者：DELLA, E. W.、PIGOU, P. E.

  DOI：——

  日期：——
• Synthesis and carbon-13 NMR analysis of a series of bridgehead-substituted polycycloalkanes: carbon-13-labeled methyl as the substituent
  作者：Ernest W. Della、Paul E. Pigou

  DOI：10.1021/ja00316a045

  日期：1984.2