2-(2-tert-butoxy-1-phenylethoxy)-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole | 81913-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(2-tert-butoxy-1-phenylethoxy)-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole
• 英文别名: 1,1,3,3-Tetramethyl-2-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]isoindole
• CAS: 81913-48-6
• 化学式: C₂₄H₃₃NO₂
• 分子量: 367.532
• InChiKey: QKIAVELWGUOYBU-UHFFFAOYSA-N

物化性质

• 沸点：
  443.2±55.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-苄基-1,1,3,3-四甲基异吲哚啉 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 2-(2-tert-butoxy-1-phenylethoxy)-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole
  参考文献：
  名称：

  与清除剂1,1,3,3-四甲基异吲哚基-2-氧自由基反应的定量研究

  摘要：

  通过使用标题氮氧化物作为自由基清除剂的技术，发现了以前未曾观察到的对-丁氧基自由基攻击乙烯基单体的反应途径。

  DOI：

  10.1016/s0040-4039(00)87091-4

文献信息

• Reaction of <i>tert</i>-Alkoxyl and Alkyl Radicals with Styrene Studied by the Nitroxide Radical-Trapping Technique
  作者：Tomoyuki Nakamura、W. Ken Busfield、Ian D. Jenkins、Ezio Rizzardo、San H. Thang、Shuji Suyama

  DOI：10.1021/jo9707489

  日期：1997.8.1

  The reactions of tert-alkyl peroxypivalates 1 (R = methyl, ethyl, and n-propyl) with styrene in the presence of the free-radical scavenger (1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yl)oxyl (2) have been studied at 60 degrees C, tert-Butyl and tert-alkoxyl radicals (tert-butoxyl, tert-pentyloxyl, and tert-hexyloxyl radicals) were generated from the thermolysis of 1, and the derivative alkyl radicals (methyl, ethyl, n-propyl, and 4-hydroxy-4-methylpentyl radicals) were formed by subsequent unimolecular reactions (beta-scission and 1,5-H shift) of the corresponding tert-alkoxyl radicals. The extent of the unimolecular reactions of the tert-alkoxyl radicals (versus addition to styrene) and the relative reactivity of alkyl radicals toward addition to styrene were obtained fi om the competitive addition/trapping reactions. The absolute rate constants for the addition of tert-butyl, ethyl, methyl, and n-propyl radicals to styrene at 60 degrees C were estimated to be (7.4, 4.7, 5, and 5.4) x 10(5) M-1 s(-1), respectively.