6-hydroxy-5,8-dimethyl-1,4-dihydronaphthalene-2,2,3,3-tetracarboxylic acid tetraethyl ester | 1131477-36-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-hydroxy-5,8-dimethyl-1,4-dihydronaphthalene-2,2,3,3-tetracarboxylic acid tetraethyl ester
• 英文别名: tetraethyl 6-hydroxy-5,8-dimethylnaphthalene-2,2,3,3(1H,4H)-tetracarboxylate；Tetraethyl 6-hydroxy-5,8-dimethyl-1,4-dihydronaphthalene-2,2,3,3-tetracarboxylate；tetraethyl 6-hydroxy-5,8-dimethyl-1,4-dihydronaphthalene-2,2,3,3-tetracarboxylate
• CAS: 1131477-36-5
• 化学式: C₂₄H₃₂O₉
• 分子量: 464.513
• InChiKey: CKHDEHOZMNYWPZ-UHFFFAOYSA-N

物化性质

• 熔点：
  120-123 °C
• 沸点：
  571.9±50.0 °C(predicted)
• 密度：
  1.220±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  碳酸亚乙烯酯 、 2-but-2-ynyl-2,3,3-tris-ethoxycarbonyl-hept-5-ynoic acid ethyl ester 在 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 BINAP 、 氢气 作用下， 以 1,2-二氯乙烷 为溶剂， 以1.88%的产率得到6-hydroxy-5,8-dimethyl-1,4-dihydronaphthalene-2,2,3,3-tetracarboxylic acid tetraethyl ester
  参考文献：
  名称：

  A New Route to Substituted Phenols by Cationic Rhodium(I)/BINAP Complex-Catalyzed Decarboxylative [2 + 2 + 2] Cycloaddition

  摘要：

  A new route to substituted phenols has been developed by cationic rhodium(I)/BINAP complex-catalyzed decarboxylative [2 + 2 + 2] cycloadditions of 1,6- and 1,7-diynes with commercially available vinylene carbonate.

  DOI：

  10.1021/ol900123d

文献信息

• Ni-Catalyzed Ketene Cycloaddition: A System That Resists the Formation of Decarbonylation Side Products
  作者：Puneet Kumar、Dawn M. Troast、Rodrigo Cella、Janis Louie

  DOI：10.1021/ja2007627

  日期：2011.5.25

  Ni-phosphine complexes were used as catalysts for the cycloaddition of various ketenes and diynes. In general, 2,4-cyclohexadienones were formed instead of products arising from decarbonylation of the ketenes.