| 1400935-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1400935-01-4
• 化学式: C₁₅H₁₆
• 分子量: 205.221
• InChiKey: LJBGURBFHJJQQU-DQDQQHIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氘代对二甲苯-d10 、 2-(benzyloxy)-1-methylpyridinium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate 生成
  参考文献：
  名称：

  Microwave-Specific Acceleration of a Friedel–Crafts Reaction: Evidence for Selective Heating in Homogeneous Solution

  摘要：

  Thermally promoted Friedel-Crafts benzylation of arene solvents has been examined under both conventional convective heating with an oil bath and heating using microwave (MW) energy. Bulk solution temperatures-as measured by internal and external temperature probes and as defined by solvent reflux-were comparable in both sets of experiments. MW-specific rate enhancements were documented under certain conditions and not others. The observed rate enhancements at a given temperature are proposed to arise from selective MW heating of polar solutes, perturbing thermal equilibrium between the solute and bulk solution. Central to MW-specific thermal phenomena is the difference between heat and temperature. Temperature is a measure of the ensemble average kinetic molecular energy of all solution components, but temperature does not provide information about solute-specific energy differences that may arise as a consequence of selective MW heating. Enhanced chemical reactivity of the MW-absorbing solute can be described as a MW-specific "extra-temperature thermal effect", because the measurable solution temperature only captures a portion of the solute kinetic molecular energy. Experimental factors that favor MW-specific rate enhancements are discussed with an eye toward future development of MW-actuated organic reactions, in which the observed thermal reactivity exceeds what is predicted from temperature-based Arrhenius calculations.

  DOI：

  10.1021/jo501153r

文献信息

• Microwave Effects in Organic Synthesis: Myth or Reality?
  作者：C. Oliver Kappe、Bartholomäus Pieber、Doris Dallinger

  DOI：10.1002/anie.201204103

  日期：2013.1.21

  It's not magic! The effects observed in microwave‐irradiated chemical transformations can in most cases be rationalized by purely bulk thermal phenomena associated with rapid heating to elevated temperatures. As discussed in this Essay, the existence of so‐called nonthermal or specific microwave effects is highly doubtful.

  这不是魔术！在大多数情况下，可以通过与快速加热到高温相关的纯体热现象来合理化在微波辐照化学转化中观察到的影响。如本文所述，所谓的非热效应或特定的微波效应的存在令人怀疑。