| 1238355-15-1

• CAS: 1238355-15-1
• 化学式: C₁₀H₁₀FeO₅
• 分子量: 266.033
• InChiKey: VOVOJSMULXOWHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2-氯乙炔基苯 、 以 四氢呋喃 为溶剂， 以43%的产率得到2-chloro-4-ethoxy-5-methylbiphenyl-3-ol
  参考文献：
  名称：

  Halogenated catechols from cycloaddition reactions of η4-(2-ethoxyvinylketene)iron(0) complexes with 1-haloalkynes

  摘要：

  1-Chloroalkynes and 1-bromohexyne undergo cycloaddition reactions with ethoxyvinylketeneiron(0) complexes to form chloro and bromocatechols. With most substituents, the halogen is incorporated ortho to the phenolic hydroxyl group regioselectively. With chloroethyne, chlorohexyne, and methyl chloropropiolate, the reverse regioselection is observed. Ab initio calculations reveal that the products are, in most cases, nearly isoenergetic, which indicates that the intermediate ketene-alkyne adduct geometry must be important in determining the product distribution. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.029