dimethyl 6-acetyl-2-(cyclohexylamino)-5-hydroxy-4H-chromene-3,4-dicarboxylate | 1222096-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: dimethyl 6-acetyl-2-(cyclohexylamino)-5-hydroxy-4H-chromene-3,4-dicarboxylate
• 英文别名: Dimethyl 6-acetyl-2-(cyclohexylamino)-5-hydroxy-4h-chromene-3,4-dicarboxylate
• CAS: 1222096-51-6
• 化学式: C₂₁H₂₅NO₇
• 分子量: 403.432
• InChiKey: QUXKLAMMGOCRIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 异氰环已烷 、 丁炔二酸二甲酯 以 二氯甲烷 为溶剂， 反应 24.17h， 以90%的产率得到dimethyl 6-acetyl-2-(cyclohexylamino)-5-hydroxy-4H-chromene-3,4-dicarboxylate
  参考文献：
  名称：

  An efficient multicomponent transformation of alkyl isocyanides, dialkyl acetylenedicarboxylates, and 2,4-dihydroxybenzophenones or 2,4-dihydroxyacetophenones into 2-amino-4H-chromene derivatives

  摘要：

  The addition of 2,4-dihydroxybenzophenones or 2,4-dihydroxyacetophenones to dialkyl acetylenedicarboxylates under neutral conditions in the presence of alkyl isocyanides leads to 2-amino-4H-chromene derivatives in high yields.

  DOI：

  10.1007/s00706-009-0226-3

文献信息

• An efficient multicomponent transformation of alkyl isocyanides, dialkyl acetylenedicarboxylates, and 2,4-dihydroxybenzophenones or 2,4-dihydroxyacetophenones into 2-amino-4H-chromene derivatives
  作者：Robabeh Baharfar、Seyed Mohammad Vahdat、Majid Ahmadian、Mohammad Javad Taghizadeh

  DOI：10.1007/s00706-009-0226-3

  日期：2010.2

  The addition of 2,4-dihydroxybenzophenones or 2,4-dihydroxyacetophenones to dialkyl acetylenedicarboxylates under neutral conditions in the presence of alkyl isocyanides leads to 2-amino-4H-chromene derivatives in high yields.