1-(4-hydroxyphenyl)-2-methoxy-2-oxoethyl 3-nitrobenzoate | 1268358-88-8

• 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-(4-hydroxyphenyl)-2-methoxy-2-oxoethyl 3-nitrobenzoate
• 英文别名: [1-(4-Hydroxyphenyl)-2-methoxy-2-oxoethyl] 3-nitrobenzoate
• CAS: 1268358-88-8
• 化学式: C₁₆H₁₃NO₇
• 分子量: 331.282
• InChiKey: JQXNYBWXPHITBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲基2-(4-羟基苯基)-2-氧代乙酸酯 、 间硝基苯甲醛 在 1,3-双(2,4,6-三甲基苯基)氯化咪唑 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以84%的产率得到1-(4-hydroxyphenyl)-2-methoxy-2-oxoethyl 3-nitrobenzoate
  参考文献：
  名称：

  1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride in combination with triethylamine: an improved catalytic system for hydroacylation/reduction of activated ketones

  摘要：

  A rapid, economic, and high yielding methodology has been developed for hydroacylation/reduction of activated ketones by using 1,3-bis(2,4,6-trimethylphenyl)imidazolium chloride as a catalyst in combination with triethylamine. The reaction proceeded at an ambient temperature via generating N-heterocyclic carbene in situ that interacted with the (hetero)aryl aldehyde employed. While the reduction of ketones takes place in MeOH, the hydroacylation process was found to be effective in THF for both electron rich and deficient aldehydes. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.022

文献信息

• 1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride in combination with triethylamine: an improved catalytic system for hydroacylation/reduction of activated ketones
  作者：M. Sreenivasulu、K. Arun Kumar、K. Sateesh Reddy、K. Siva Kumar、P. Rajender Kumar、K.B. Chandrasekhar、Manojit Pal

  DOI：10.1016/j.tetlet.2010.12.022

  日期：2011.2

  A rapid, economic, and high yielding methodology has been developed for hydroacylation/reduction of activated ketones by using 1,3-bis(2,4,6-trimethylphenyl)imidazolium chloride as a catalyst in combination with triethylamine. The reaction proceeded at an ambient temperature via generating N-heterocyclic carbene in situ that interacted with the (hetero)aryl aldehyde employed. While the reduction of ketones takes place in MeOH, the hydroacylation process was found to be effective in THF for both electron rich and deficient aldehydes. (C) 2010 Elsevier Ltd. All rights reserved.