2-({benzyl[(6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]amino}methyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one | 1426147-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-({benzyl[(6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]amino}methyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one
• 英文别名: 2-[[Benzyl-[(6,6-dimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]-6,6-dimethyl-5,7-dihydro-1-benzofuran-4-one；2-[[benzyl-[(6,6-dimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]-6,6-dimethyl-5,7-dihydro-1-benzofuran-4-one
• CAS: 1426147-01-4
• 化学式: C₂₉H₃₃NO₄
• 分子量: 459.585
• InChiKey: JQUIZWKXOWTCGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine 在 dirhodium tetraacetate 作用下， 以 二氯甲烷 为溶剂， 生成 2-({benzyl[(6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]amino}methyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one
  参考文献：
  名称：

  One pot rhodium catalyzed, base and solvent-free synthesis of 2-(bromomethyl)furan derivatives and synthesis of Hashmi phenol through platinum catalyzed cascade cyclization

  摘要：

  A novel rhodium catalyzed one pot synthetic strategy was developed to construct fused furan scaffolds via in situ generation of dicarbonyl iodonium ylide and its application to the synthesis of Hashmi phenol is described. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.108

文献信息

• One pot rhodium catalyzed, base and solvent-free synthesis of 2-(bromomethyl)furan derivatives and synthesis of Hashmi phenol through platinum catalyzed cascade cyclization
  作者：Mahalingam Sivaraman、Doraiswamy Muralidharan、Paramasivan T. Perumal

  DOI：10.1016/j.tetlet.2012.12.108

  日期：2013.3

  A novel rhodium catalyzed one pot synthetic strategy was developed to construct fused furan scaffolds via in situ generation of dicarbonyl iodonium ylide and its application to the synthesis of Hashmi phenol is described. (c) 2013 Elsevier Ltd. All rights reserved.