10-(oct-1-ynyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline | 1011801-77-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 10-(oct-1-ynyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
• 英文别名: 10-Oct-1-ynyl-5,6-dihydropyrazolo[5,1-a]isoquinoline
• CAS: 1011801-77-6
• 化学式: C₁₉H₂₂N₂
• 分子量: 278.397
• InChiKey: HCMQDDMMVCGPIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  10-chloro-5,6-dihydropyrazolo[5,1-a]isoquinoline 、 1-辛炔 在 双(乙腈)氯化钯(II) 2-双环己基膦-2',6'-二甲氧基联苯 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以99%的产率得到10-(oct-1-ynyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
  参考文献：
  名称：

  A Palladium-Catalyzed Alkylation/Direct Arylation Synthesis of Nitrogen-Containing Heterocycles

  摘要：

  [Graphics]A norbornene-mediated palladium-catalyzed sequence is described in which an alkyl-aryl bond and an aryl-heteroaryl bond are formed in one reaction vessel. The aryl-heteroaryl bond-forming step occurs via a direct arylation reaction. A number of six-, seven-, and eight-membered ring-annulated indoles, pyrroles, pyrazoles, and azaindoles were synthesized from the corresponding bromoalkyl azole and an aryl iodide.

  DOI：

  10.1021/jo702052b

文献信息

• A Palladium-Catalyzed Alkylation/Direct Arylation Synthesis of Nitrogen-Containing Heterocycles
  作者：Christophe Blaszykowski、Evangelos Aktoudianakis、Dino Alberico、Cyril Bressy、David G. Hulcoop、Farnaz Jafarpour、Arash Joushaghani、Benoît Laleu、Mark Lautens

  DOI：10.1021/jo702052b

  日期：2008.3.1

  [Graphics]A norbornene-mediated palladium-catalyzed sequence is described in which an alkyl-aryl bond and an aryl-heteroaryl bond are formed in one reaction vessel. The aryl-heteroaryl bond-forming step occurs via a direct arylation reaction. A number of six-, seven-, and eight-membered ring-annulated indoles, pyrroles, pyrazoles, and azaindoles were synthesized from the corresponding bromoalkyl azole and an aryl iodide.