2-(4-fluorobenzylidene)-6-methoxy-2,3-dihydro-1H-inden-1-one | 1229021-76-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(4-fluorobenzylidene)-6-methoxy-2,3-dihydro-1H-inden-1-one
• CAS: 1229021-76-4
• 化学式: C₁₇H₁₃FO₂
• 分子量: 268.287
• InChiKey: GVFVVBRVSKXSGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  盐酸胍 、 2-(4-fluorobenzylidene)-6-methoxy-2,3-dihydro-1H-inden-1-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Optimization of arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  Two reactive metabolites were identified in vivo for the dual A(2A)/A(1) receptor antagonist 1. Two strategies were implemented to successfully mitigate the metabolic liabilities associated with 1. Optimization of the arylindenopyrimidines led to a number of amide, ether, and amino analogs having comparable in vitro and in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.024
• 作为产物：
  描述：

  6-甲氧基-1-茚酮 、 对氟苯甲醛 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-(4-fluorobenzylidene)-6-methoxy-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Optimization of arylindenopyrimidines as potent adenosine A2A/A1 antagonists

  摘要：

  Two reactive metabolites were identified in vivo for the dual A(2A)/A(1) receptor antagonist 1. Two strategies were implemented to successfully mitigate the metabolic liabilities associated with 1. Optimization of the arylindenopyrimidines led to a number of amide, ether, and amino analogs having comparable in vitro and in vivo activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.024

文献信息

• Electronically-controlled diastereoselective synthesis of spirocycles <i>via</i> [4 + 2] cycloaddition of 2-arylidene-1-indenones with benzyne
  作者：Subhasish Ray、Anup Kumar Yadav、Saurabh Singh、Monish Arbaz Ansari、Maya Shankar Singh

  DOI：10.1039/d3ob00417a

  日期：——

  A one-pot electronically controlled [4 + 2] cycloaddition reaction of in situ generated benzyne with 2-arylidene-1-indenone is unveiled to construct novel spirocyclic frameworks in a regio- and diastereoselective fashion. This protocol features operational simplicity, good functional group tolerance and avoids the use of metal catalysts and external additives. This methodology has extended the synthetic

  揭示了原位生成的苯与 2-亚芳基-1-茚酮的单锅电子控制 [4 + 2] 环加成反应，以区域和非对映选择性方式构建新型螺环框架。该协议具有操作简单、良好的官能团耐受性并避免使用金属催化剂和外部添加剂的特点。这种方法扩展了 2-arylidene-1-indenones 的合成应用，可以轻松获得有价值的 10' H -spiro[indene-2,9'-phenanthren]-1(3 H )-ones 并获得高产率。