2-ethyl-2-hydroxy-3,3-dimethyl-1-tetralone

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-ethyl-2-hydroxy-3,3-dimethyl-1-tetralone
• 英文别名: 1(2h)-Naphthalenone,2-ethyl-3,4-dihydro-2-hydroxy-3,3-dimethyl-；2-ethyl-2-hydroxy-3,3-dimethyl-4H-naphthalen-1-one
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: XTHWSVZCSBBOTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,3-二氢-2,2-二甲基茚-1-酮 在 palladium on activated charcoal 盐酸 、 四(三苯基膦)钯 、 正丁基锂 、 氢气 、 三(邻甲基苯基)磷 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， -78.0~20.0 ℃ 、101.33 kPa 条件下， 反应 44.0h， 生成 2-ethyl-2-hydroxy-3,3-dimethyl-1-tetralone
  参考文献：
  名称：

  New Ring-Expansion Reactions of Hydroxy Propenoyl Cyclic Compounds under Palladium(0)/Phosphine-Catalyzed Conditions

  摘要：

  Palladium(0)-catalyzed one-atom ring-expansion of 1-hydroxy-2,2-dialkyl-1-propenoylindan derivatives has been achieved in the presence of P(o-tolyl)(3) giving 2-hydroxy-3,3-dialkyl-2-vinyl-l-tetralone derivatives in excellent yields. This ring-expansion reaction was applied to a 17-(1-oxo-2-propenyl)-beta-estradiol derivative and furnished a similar ring-expanded product in an excellent yield.

  DOI：

  10.1021/ol049450c

文献信息

• New Ring-Expansion Reactions of Hydroxy Propenoyl Cyclic Compounds under Palladium(0)/Phosphine-Catalyzed Conditions
  作者：Yoshimitsu Nagao、Satoru Tanaka、Akiharu Ueki、Masunori Kumazawa、Satoru Goto、Takashi Ooi、Shigeki Sano、Motoo Shiro

  DOI：10.1021/ol049450c

  日期：2004.6.1

  Palladium(0)-catalyzed one-atom ring-expansion of 1-hydroxy-2,2-dialkyl-1-propenoylindan derivatives has been achieved in the presence of P(o-tolyl)(3) giving 2-hydroxy-3,3-dialkyl-2-vinyl-l-tetralone derivatives in excellent yields. This ring-expansion reaction was applied to a 17-(1-oxo-2-propenyl)-beta-estradiol derivative and furnished a similar ring-expanded product in an excellent yield.