methyl (2E)-1'-methyl-2-(4-nitrobenzylidene)-5',6'-dihydro-1'H-spiro[1-benzothiophene-3,4'-pyridine]-3'-carboxylate | 1259948-29-2

• 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: methyl (2E)-1'-methyl-2-(4-nitrobenzylidene)-5',6'-dihydro-1'H-spiro[1-benzothiophene-3,4'-pyridine]-3'-carboxylate
• CAS: 1259948-29-2
• 化学式: C₂₂H₂₀N₂O₄S
• 分子量: 408.478
• InChiKey: YBGIRLODGQJLEL-DEDYPNTBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.37
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  72.68
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  methyl (2Z)-1'-methyl-2-(4-nitrobenzylidene)-5',6'-dihydro-1'H-spiro[1-benzothiophene-3,4'-pyridine]-3'-carboxylate 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 methyl (2E)-1'-methyl-2-(4-nitrobenzylidene)-5',6'-dihydro-1'H-spiro[1-benzothiophene-3,4'-pyridine]-3'-carboxylate
  参考文献：
  名称：

  Tandem transformations of tetrahydrobenzothieno[2,3-c]pyridines in the presence of activated alkynes

  摘要：

  The reactivity of some new tetrahydrothienopyridines towards activated alkynes was investigated. A novel cascade cleavage-spiroannulation process, leading to the formation of previously unreported derivatives of 1'H-spiro[1-benzothiophene-3,4'-pyridine] was discovered and studied. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.098

文献信息

• Tandem transformations of tetrahydrobenzothieno[2,3-c]pyridines in the presence of activated alkynes
  作者：Leonid G. Voskressensky、Svetlana A. Kovaleva、Tatiana N. Borisova、Anna V. Listratova、Alexandr B. Eresko、Valery S. Tolkunov、Sergey V. Tolkunov、Alexey V. Varlamov

  DOI：10.1016/j.tet.2010.09.098

  日期：2010.11

  The reactivity of some new tetrahydrothienopyridines towards activated alkynes was investigated. A novel cascade cleavage-spiroannulation process, leading to the formation of previously unreported derivatives of 1'H-spiro[1-benzothiophene-3,4'-pyridine] was discovered and studied. (C) 2010 Elsevier Ltd. All rights reserved.