1-(p-tolyl)propan-2-yl acetate | 2114-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(p-tolyl)propan-2-yl acetate
• 英文别名: 4-<2-Acetoxy-propyl>-toluol；1-(4-Methylphenyl)propan-2-yl acetate；1-(4-methylphenyl)propan-2-yl acetate
• CAS: 2114-34-3
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: BKISUKWLONNEQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-1-methyl-4-(prop-1-enyl)benzene 、 溶剂黄146 在 9-mesityl-10-methylacridinium tetrafluoroborate 、 sodium benzenesulfonate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.25h， 以63%的产率得到1-(p-tolyl)propan-2-yl acetate
  参考文献：
  名称：

  Direct Catalytic Anti-Markovnikov Addition of Carboxylic Acids to Alkenes

  摘要：

  A direct catalytic anti-Markovnikov addition of carboxylic acids to alkenes is reported. The catalyst system is comprised of the Fukuzumi acridinium photo-oxidant (1) and a substoichiometric quantity of a hydrogen-atom donor. Oxidizable olefins, such as styrenes, trisubstituted aliphatic alkenes, and enamides, can be employed along with a variety of carboxylic acids to afford the anti-Markovnikov addition adducts exclusively. A deuterium-labeling experiment lends insight to the potential mechanism.

  DOI：

  10.1021/ja4057294

文献信息

• Direct Catalytic Anti-Markovnikov Addition of Carboxylic Acids to Alkenes
  作者：Andrew J. Perkowski、David A. Nicewicz

  DOI：10.1021/ja4057294

  日期：2013.7.17

  A direct catalytic anti-Markovnikov addition of carboxylic acids to alkenes is reported. The catalyst system is comprised of the Fukuzumi acridinium photo-oxidant (1) and a substoichiometric quantity of a hydrogen-atom donor. Oxidizable olefins, such as styrenes, trisubstituted aliphatic alkenes, and enamides, can be employed along with a variety of carboxylic acids to afford the anti-Markovnikov addition adducts exclusively. A deuterium-labeling experiment lends insight to the potential mechanism.