tetramethyl 5-(methoxymethyl)-1,2,3,4-benzenetetracarboxylate | 128408-45-7

• 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: tetramethyl 5-(methoxymethyl)-1,2,3,4-benzenetetracarboxylate
• 英文别名: 1,2,3,4-tetrakis(carbomethoxy)-5-methylmethoxybenzene；Tetramethyl 5-(methoxymethyl)benzene-1,2,3,4-tetracarboxylate；tetramethyl 5-(methoxymethyl)benzene-1,2,3,4-tetracarboxylate
• CAS: 128408-45-7
• 化学式: C₁₆H₁₈O₉
• 分子量: 354.314
• InChiKey: YLCCHCQBKVKSQI-UHFFFAOYSA-N

物化性质

• 沸点：
  418.2±45.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  丁炔二酸二甲酯 、 甲基炔丙基醚 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 1,2-双(二苯基膦)乙烷 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以89%的产率得到tetramethyl 5-(methoxymethyl)-1,2,3,4-benzenetetracarboxylate
  参考文献：
  名称：

  Iridium Complex-Catalyzed Highly Selective Cross [2 + 2 + 2] Cycloaddition of Two Different Monoynes:  2:1 Coupling versus 1:2 Coupling

  摘要：

  Highly selective cross [2 + 2 + 2] cycloaddition of two different monoynes is achieved by using a catalytic amount of [Ir(cod)Cl](2) and ligand. The ligand had a considerable effect on the reaction. When 1,2-bis(diphenylphosphino)ethane was used, two molecules of dimethyl acetylenedicarboxylate (DMAD) reacted with one molecule of a monoyne to give the 2:1 coupling product. When 1,2-bis(dipentafluorophenylphosphino)ethane was used instead of dppe, one molecule of DMAD reacted with two molecules of a monoyne to give the 1:2 coupling product.

  DOI：

  10.1021/ol035330d

文献信息

• Diazadienes as control ligands in homogeneous catalysis XVIII. Palladacyclopentadienes and platinacyclopentadienes and the co-cyclotrimerization of various alkynes
  作者：Heindirk tom Dieck、Christina Munz、Christiane Müller

  DOI：10.1016/0022-328x(90)87071-k

  日期：1990.2
• Iridium Complex-Catalyzed Highly Selective Cross [2 + 2 + 2] Cycloaddition of Two Different Monoynes:  2:1 Coupling versus 1:2 Coupling
  作者：Ryo Takeuchi、Yoshihiko Nakaya

  DOI：10.1021/ol035330d

  日期：2003.10.1

  Highly selective cross [2 + 2 + 2] cycloaddition of two different monoynes is achieved by using a catalytic amount of [Ir(cod)Cl](2) and ligand. The ligand had a considerable effect on the reaction. When 1,2-bis(diphenylphosphino)ethane was used, two molecules of dimethyl acetylenedicarboxylate (DMAD) reacted with one molecule of a monoyne to give the 2:1 coupling product. When 1,2-bis(dipentafluorophenylphosphino)ethane was used instead of dppe, one molecule of DMAD reacted with two molecules of a monoyne to give the 1:2 coupling product.