diethyl 2-(2-(3-(ethoxycarbonyloxy)prop-1-ynyl)phenyl)malonate | 1022161-77-8

• 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: diethyl 2-(2-(3-(ethoxycarbonyloxy)prop-1-ynyl)phenyl)malonate
• 英文别名: Diethyl 2-[2-(3-ethoxycarbonyloxyprop-1-ynyl)phenyl]propanedioate
• CAS: 1022161-77-8
• 化学式: C₁₉H₂₂O₇
• 分子量: 362.379
• InChiKey: GPPHXBNUVZKAKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 2-(2-(3-(ethoxycarbonyloxy)prop-1-ynyl)phenyl)malonate 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以91%的产率得到(1,1-di(ethoxycarbonyl)-1H-inden-2-yl)methyl ethyl carbonate
  参考文献：
  名称：

  Ni（II）催化炔丙基化合物与亲核亲核剂的环化反应的新见解：新型的茚满形成

  摘要：

  We have disclosed a very nice advance of nickel(II)-catalyzed carboannulation reactions. Highly substituted indene derivatives are readily prepared in moderate to excellent yields under very mild reaction conditions in air via a nickel (II)-catalyzed cyclization of propargylic compounds with soft nucleophiles.

  DOI：

  10.1021/jo800155a

文献信息

• Palladium-catalyzed synthesis of indene derivatives via propargylic carbonates with in situ generated organozinc compounds
  作者：Zheng-Hui Guan、Zhi-Hui Ren、Lian-Biao Zhao、Yong-Min Liang

  DOI：10.1039/b719957k

  日期：——

  The palladium-catalyzed carboannulation and arylation reaction of propargylic carbonates with in situ generated organozinc compounds produced an important new class of indene derivatives. The reaction proceeded under mild conditions, and indene products were isolated in good to excellent yields.

  在钯催化下，丙炔基碳酸酯与原位生成的有机锌化合物发生羧化和芳基化反应，生成了一类重要的新茚衍生物。反应在温和的条件下进行，分离出的茚产物收率良好甚至极佳。
• New Insight into Ni(II)-Catalyzed Cyclization Reactions of Propargylic Compounds with Soft Nucleophiles: Novel Indenes Formation
  作者：Fa-Rong Gou、Hai-Peng Bi、Li-Na Guo、Zheng-Hui Guan、Xue-Yuan Liu、Yong-Min Liang

  DOI：10.1021/jo800155a

  日期：2008.5.1

  We have disclosed a very nice advance of nickel(II)-catalyzed carboannulation reactions. Highly substituted indene derivatives are readily prepared in moderate to excellent yields under very mild reaction conditions in air via a nickel (II)-catalyzed cyclization of propargylic compounds with soft nucleophiles.