2-甲基-2-茚-3-醇 | 157485-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 中文名称: 2-甲基-2-茚-3-醇
• 英文名称: 2-methyl-2-inden-3-ol
• 英文别名: 2-Methylinden-3-ol；2-Methyl-3-indenol；2-methyl-3H-inden-1-ol
• CAS: 157485-32-0
• 化学式: C₁₀H₁₀O
• 分子量: 146.189
• InChiKey: HNNCJXQGBDDHRW-UHFFFAOYSA-N

物化性质

• 沸点：
  290.4±38.0 °C(predicted)
• 密度：
  1.171±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-甲基-2-茚-3-醇 以41%的产率得到
  参考文献：
  名称：

  HENIN, FRANCOISE;MUZART, JACQUES;PETE, JEAN-PIERRE;MBOUNGOU-MPASSI, ANAST+, ANGEW. CHEM., 103,(1991) N, C. 460-462

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 2-methyl-1-indanone-2-carboxylate 在 palladium on activated charcoal titanium(IV) isopropylate 、 氢气 作用下， 以 乙腈 为溶剂， 生成 2-甲基-2-茚-3-醇
  参考文献：
  名称：

  Mechanistic Insights into the Palladium-Induced Domino Reaction Leading to Ketones from Benzyl β-Ketoesters:  First Characterization of the Enol as an Intermediate

  摘要：

  The monitoring by UV spectroscopy of the Pd-catalyzed hydrogenolysis in acetonitrile of 2-methyl-2-benzyloxycarbonyl-1-indanone and 2-methyl-2-benzyloxycarbonyl-1-tetralone showed the successive formation of corresponding beta-ketoacids and enols to deliver finally the ketones. Some factors which influence the stability of the intermediates are determined. In contrast to the above benzyl beta-ketoesters, the enol was not detected from benzyl (2-methylinden-3-yl) carbonate.

  DOI：

  10.1021/jo049464w

文献信息

• HENIN, FRANCOISE;MUZART, JACQUES;PETE, JEAN-PIERRE;MBOUNGOU-MPASSI, ANAST+, ANGEW. CHEM., 103,(1991) N, C. 460-462
  作者：HENIN, FRANCOISE、MUZART, JACQUES、PETE, JEAN-PIERRE、MBOUNGOU-MPASSI, ANAST+

  DOI：——

  日期：——
• Henin, Francoise; Muzart, Jacques; Pete, Jean-Pierre, Angewandte Chemie, 1991, vol. 103, # 4, p. 460 - 462
  作者：Henin, Francoise、Muzart, Jacques、Pete, Jean-Pierre、M'boungou-M'passi, Anastase、Rau, Hermann

  DOI：——

  日期：——
• Mechanistic Insights into the Palladium-Induced Domino Reaction Leading to Ketones from Benzyl β-Ketoesters:  First Characterization of the Enol as an Intermediate
  作者：Jean-François Detalle、Abdelkhalek Riahi、Vincent Steinmetz、Françoise Hénin、Jacques Muzart

  DOI：10.1021/jo049464w

  日期：2004.10.1

  The monitoring by UV spectroscopy of the Pd-catalyzed hydrogenolysis in acetonitrile of 2-methyl-2-benzyloxycarbonyl-1-indanone and 2-methyl-2-benzyloxycarbonyl-1-tetralone showed the successive formation of corresponding beta-ketoacids and enols to deliver finally the ketones. Some factors which influence the stability of the intermediates are determined. In contrast to the above benzyl beta-ketoesters, the enol was not detected from benzyl (2-methylinden-3-yl) carbonate.