methyl 1-oxo-2-(3-oxo-3-(2-oxooxazolidin-3-yl)propyl)-2,3-dihydro-1H-indene-2-carboxylate | 1486549-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: methyl 1-oxo-2-(3-oxo-3-(2-oxooxazolidin-3-yl)propyl)-2,3-dihydro-1H-indene-2-carboxylate
• 英文别名: methyl 3-oxo-2-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-1H-indene-2-carboxylate
• CAS: 1486549-05-6
• 化学式: C₁₇H₁₇NO₆
• 分子量: 331.325
• InChiKey: JDPGDNXNQJTAKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  90
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1H-茚-2-甲酸,2,3-二氢-1-氧代-,甲酯 、 3-丙烯酰基-2-唑烷酮 在 st-DNA 作用下， 以 aq. buffer 为溶剂， 反应 72.0h， 以42%的产率得到methyl 1-oxo-2-(3-oxo-3-(2-oxooxazolidin-3-yl)propyl)-2,3-dihydro-1H-indene-2-carboxylate
  参考文献：
  名称：

  1,4-Michael additions of cyclic-β-ketoesters catalyzed by DNA in aqueous media

  摘要：

  In this work, we describe the 1,4-Michael addition of the 1,3-dicarbonyl compounds to activated ethylenes under st-DNA catalysis in water. The reaction of the beta-ketoester 4 with nitroolefins and conjugated carbonyls proceeds quite well, whereas other less activated ethylenes exhibit low or null reactivity. The catalyst can be recovered and reused for several catalytic cycles without significantly diminishing its efficiency. These reactions are similarly catalyzed by GMP, methyl-adenine and ethyl guanine, which suggests that the catalytic activity of st-DNA could be associated to the basic nature of their nucleotides' integrants. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2013.08.015