4-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydrocyclopenta[b]pyran-5-one | 1173191-28-0

• 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: 4-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydrocyclopenta[b]pyran-5-one
• 英文别名: 4-(4-methylphenyl)-2-phenyl-6,7-dihydro-4H-cyclopenta[b]pyran-5-one
• CAS: 1173191-28-0
• 化学式: C₂₁H₁₈O₂
• 分子量: 302.373
• InChiKey: XMPMRTABMRGSHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-环戊二酮 、 1-(4-甲基苯基)-3-苯基丙-2-炔-1-醇 在 indium(III) bromide 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.5h， 以90%的产率得到4-(4-methylphenyl)-2-phenyl-4,5,6,7-tetrahydrocyclopenta[b]pyran-5-one
  参考文献：
  名称：

  InBr3-catalyzed annulations of cyclic 1,3-diketones with aryl propargyl alcohols: a novel synthesis of 2,4-diaryldihydropyrans

  摘要：

  The cyclic 1,3-dicarbonyl compounds undergo smooth cyclization with aryl propargyl alcohols in the presence of 10 mol % indium tribromide in refluxing dichloroethane to produce 2,4-diarylpyran derivatives in good yields with high selectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.088

文献信息

• InBr3-catalyzed annulations of cyclic 1,3-diketones with aryl propargyl alcohols: a novel synthesis of 2,4-diaryldihydropyrans
  作者：J.S. Yadav、B.V. Subba Reddy、K.V. Raghavendra Rao、R. Narender

  DOI：10.1016/j.tetlet.2009.04.088

  日期：2009.7

  The cyclic 1,3-dicarbonyl compounds undergo smooth cyclization with aryl propargyl alcohols in the presence of 10 mol % indium tribromide in refluxing dichloroethane to produce 2,4-diarylpyran derivatives in good yields with high selectivity. (C) 2009 Elsevier Ltd. All rights reserved.