3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)propanoic acid | 876385-79-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)propanoic acid
• 英文别名: 3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)propanoic acid
• CAS: 876385-79-4
• 化学式: C₁₇H₁₇NO₆
• 分子量: 331.325
• InChiKey: KINQGWJRRXXWDV-UHFFFAOYSA-N

物化性质

• 沸点：
  480.6±45.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)propanoic acid 在 甲酸 、 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 6,7-Dimethoxy-3-(4-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester
  参考文献：
  名称：

  New potential antibacterials: A synthetic route to N-aryloxazolidinone/3-aryltetrahydroisoquinoline hybrids

  摘要：

  A synthetic route to a new structural type of potential antibacterials, with a hybrid 3-aryltetrahydroisoquinoline-6,7-diol/ N-aryloxazolidinone structure, is reported. The synthesis involves the successive construction of the 3-aryltetrahydroisoquinoline and 4-substituted oxazolidinone, moieties, the latter taking advantage of the functionalization at the para position of the aryl group. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.053
• 作为产物：
  描述：

  对硝基苯乙酸甲酯 在 sodium hydroxide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-(3,4-Dimethoxyphenyl)-2-(4-nitrophenyl)propanoic acid
  参考文献：
  名称：

  New potential antibacterials: A synthetic route to N-aryloxazolidinone/3-aryltetrahydroisoquinoline hybrids

  摘要：

  A synthetic route to a new structural type of potential antibacterials, with a hybrid 3-aryltetrahydroisoquinoline-6,7-diol/ N-aryloxazolidinone structure, is reported. The synthesis involves the successive construction of the 3-aryltetrahydroisoquinoline and 4-substituted oxazolidinone, moieties, the latter taking advantage of the functionalization at the para position of the aryl group. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.053

文献信息

• New potential antibacterials: A synthetic route to N-aryloxazolidinone/3-aryltetrahydroisoquinoline hybrids
  作者：Rosa Griera、Carme Cantos-Llopart、Mercedes Amat、Joan Bosch、Juan-C. del Castillo、Joan Huguet

  DOI：10.1016/j.bmcl.2005.10.053

  日期：2006.2

  A synthetic route to a new structural type of potential antibacterials, with a hybrid 3-aryltetrahydroisoquinoline-6,7-diol/ N-aryloxazolidinone structure, is reported. The synthesis involves the successive construction of the 3-aryltetrahydroisoquinoline and 4-substituted oxazolidinone, moieties, the latter taking advantage of the functionalization at the para position of the aryl group. (c) 2005 Elsevier Ltd. All rights reserved.