α-methoxybenzocyclobutenecarbonyl chloride | 125476-35-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: α-methoxybenzocyclobutenecarbonyl chloride
• 英文别名: (7R)-7-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
• CAS: 125476-35-9
• 化学式: C₁₀H₉ClO₂
• 分子量: 196.633
• InChiKey: RHVGUFLYXAPGKN-SNVBAGLBSA-N

物化性质

• 沸点：
  265.5±40.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  钾[锰(五羰基)] 、 α-methoxybenzocyclobutenecarbonyl chloride 以 四氢呋喃 为溶剂， 以62%的产率得到((α-methoxybenzocyclobutenyl)carbonyl)pentacarbonylmanganese
  参考文献：
  名称：

  Crowther; Tivakornpannarai; Jones, Organometallics, 1990, vol. 9, # 3, p. 739 - 744

  摘要：

  DOI：

文献信息

• Reactions of electrophiles with neutral cyclic carbene complexes of iron
  作者：Supanna Tivakornpannarai、W. M. Jones

  DOI：10.1021/om00052a032

  日期：1991.6

  Reactions of the two benzannelated ferracyclopentadienes 2 and 3 with two electrophiles-anhydrous protic acid and trimethylsilyl triflate-have been studied. Reaction of 2 with either fluoroboric acid or trifluoromethanesulfonic acid under an atmosphere of CO leads to simple metal-carbon cleavage to give the new carbene complex 6. Similarly, in the presence of CO, 3 gives mostly the metal-alkyl cleavage product 10; but, in this case, a small amount (about 10%) of a new ring-opened product 13 is also formed. In the absence of CO, 13 becomes the predominant product. Structures of 6 and 10 were confirmed by independent syntheses. Structure assignment (including stereochemistry) of 13 is based on elemental analysis, NMR spectroscopy, and NOE difference experiments. The position of the deuterium of 13 from reaction of 3 with D+ implicates an agostic intermediate (9) that reacts with CO to give 10 and reverts to 8 but does not equilibrate the methyl hydrogens. Treatment of 2 or 3 with trimethylsilyl triflate at -85-degrees-C under an atmosphere of CO gives the known carbene complex 24. Two reasonable mechanisms for formation of 24-one involving a small-ring carbyne-are briefly discussed.
• Crowther; Tivakornpannarai; Jones, Organometallics, 1990, vol. 9, # 3, p. 739 - 744
  作者：Crowther、Tivakornpannarai、Jones

  DOI：——

  日期：——