Methyl 3-(2-oxopropoxy)-5-phenylthiophene-2-carboxylate | 886211-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Methyl 3-(2-oxopropoxy)-5-phenylthiophene-2-carboxylate
• CAS: 886211-01-4
• 化学式: C₁₅H₁₄O₄S
• mdl: MFCD15005188
• 分子量: 290.34
• InChiKey: PZQNUNFSJDRZQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 3-(2-oxopropoxy)-5-phenylthiophene-2-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-(2-Oxopropoxy)-5-phenylthiophene-2-carboxylic acid
  参考文献：
  名称：

  One-step assembly of carbamoyl substituted annulated 1,4-oxazepines

  摘要：

  We present a convenient synthesis of heterocyclic scaffolds using a novel modification of four-component Ugi condensation. Two complementary variants of this useful synthetic strategy provide an efficient one-step assembly of four novel pharmaceutically relevant (hetero) aryl-fused 1,4-oxazepines with different substituents' profile. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.158
• 作为产物：
  描述：

  3-Hydroxy-5-phenyl-thiophen-2-carbonsaeure-methylester 、 一氯丙酮 在 18-冠醚-6 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以60%的产率得到Methyl 3-(2-oxopropoxy)-5-phenylthiophene-2-carboxylate
  参考文献：
  名称：

  One-step assembly of carbamoyl substituted annulated 1,4-oxazepines

  摘要：

  We present a convenient synthesis of heterocyclic scaffolds using a novel modification of four-component Ugi condensation. Two complementary variants of this useful synthetic strategy provide an efficient one-step assembly of four novel pharmaceutically relevant (hetero) aryl-fused 1,4-oxazepines with different substituents' profile. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.158

文献信息

• One-step assembly of carbamoyl substituted annulated 1,4-oxazepines
  作者：Alexey P. Ilyin、Vladislav Z. Parchinski、Julia N. Peregudova、Andrey S. Trifilenkov、Elena B. Poutsykina、Sergey E. Tkachenko、Dmitri V. Kravchenko、Alexandre V. Ivachtchenko

  DOI：10.1016/j.tetlet.2006.01.158

  日期：2006.4

  We present a convenient synthesis of heterocyclic scaffolds using a novel modification of four-component Ugi condensation. Two complementary variants of this useful synthetic strategy provide an efficient one-step assembly of four novel pharmaceutically relevant (hetero) aryl-fused 1,4-oxazepines with different substituents' profile. (c) 2006 Elsevier Ltd. All rights reserved.