1-bromo-2-(diphenylphosphinoyl)-4,5-dimethylcyclohexa-1,4-diene | 1151546-51-8

• 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: 1-bromo-2-(diphenylphosphinoyl)-4,5-dimethylcyclohexa-1,4-diene
• 英文别名: 1-Bromo-2-diphenylphosphoryl-4,5-dimethylcyclohexa-1,4-diene；1-bromo-2-diphenylphosphoryl-4,5-dimethylcyclohexa-1,4-diene
• CAS: 1151546-51-8
• 化学式: C₂₀H₂₀BrOP
• 分子量: 387.256
• InChiKey: KWGSLIINKWMCJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (bromoethynyl)diphenylphosphine oxide 、 2,3-二甲基-1,3-丁二烯 在 对苯二酚 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以48%的产率得到1-bromo-2-(diphenylphosphinoyl)-4,5-dimethylcyclohexa-1,4-diene
  参考文献：
  名称：

  1-Bromo-2-(diphenylphosphinoyl)ethyne and 1-bromo-2-(p-tolylsulfinyl)ethyne: versatile reagents eventually leading to benzocyclotrimers

  摘要：

  The title compounds form Diels-Alder cycloadducts with a number of dienes, which can be transformed into vic-bromo(trimethylstannyl)olefins, ultimate precursors for the synthesis of benzocyclotrimers via copper-mediated cyclotrimerization. The overall result is a formal condensation of three diatomic carbons with three dienes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.064

文献信息

• 1-Bromo-2-(diphenylphosphinoyl)ethyne and 1-bromo-2-(p-tolylsulfinyl)ethyne: versatile reagents eventually leading to benzocyclotrimers
  作者：Pierluigi Padovan、Stefano Tartaggia、Silvia Lorenzon、Enrico Rosso、Cristiano Zonta、Ottorino De Lucchi、Fabrizio Fabris

  DOI：10.1016/j.tetlet.2009.02.064

  日期：2009.4

  The title compounds form Diels-Alder cycloadducts with a number of dienes, which can be transformed into vic-bromo(trimethylstannyl)olefins, ultimate precursors for the synthesis of benzocyclotrimers via copper-mediated cyclotrimerization. The overall result is a formal condensation of three diatomic carbons with three dienes. (C) 2009 Elsevier Ltd. All rights reserved.