1,1,4-trimethyl-1,2-dihydronaphthalene | 51193-69-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,1,4-trimethyl-1,2-dihydronaphthalene
• 英文别名: 1,1,4-Trimethyl-1,2-dihydronaphthalin；1,2-Dihydro-1,1,4-trimethylnaphthalin；1,1,4-trimethyl-2H-naphthalene
• CAS: 51193-69-2
• 化学式: C₁₃H₁₆
• 分子量: 172.27
• InChiKey: BXOALCKEHXIKNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  2-(2-bromophenyl)-2-methylpropanal 在 palladium diacetate 正丁基锂 、 四丁基溴化铵 、 potassium carbonate 、 三苯基膦 作用下， 以 正己烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 2.5h， 生成 1,1,4-trimethyl-1,2-dihydronaphthalene
  参考文献：
  名称：

  Reactivity of stable neopentyl-Pd intermediates in the absence of nucleophile

  摘要：

  In the absence of any trapping agent, stable neopentyl-Pd intermediates can terminate a catalytic cycle by undergoing a regioselective C-H activation, leading to various spiro or fused cyclopropane derivatives in a straightforward manner. If the neopentyl-Pd intermediate contains a heteroatom at a suitable position, C-H activation does not occur and stable palladacycles are isolated. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.05.018

文献信息

• Polymethyl Aromatic Hydrocarbons. II.¹ The Dehydration and Cyclization of 2-Methyl-5-phenylhexane-2,5-diol²
  作者：Milton C. Kloetzel

  DOI：10.1021/ja01869a034

  日期：1940.12
• Reactivity of stable neopentyl-Pd intermediates in the absence of nucleophile
  作者：Frédéric Liron、Paul Knochel

  DOI：10.1016/j.tetlet.2007.05.018

  日期：2007.7

  In the absence of any trapping agent, stable neopentyl-Pd intermediates can terminate a catalytic cycle by undergoing a regioselective C-H activation, leading to various spiro or fused cyclopropane derivatives in a straightforward manner. If the neopentyl-Pd intermediate contains a heteroatom at a suitable position, C-H activation does not occur and stable palladacycles are isolated. (c) 2007 Published by Elsevier Ltd.