2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl pivalate | 314243-84-0

• 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: 2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl pivalate
• 英文别名: 2-tert-butyl-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate；[2-tert-butyl-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] 2,2-dimethylpropanoate
• CAS: 314243-84-0
• 化学式: C₂₈H₃₂N₂O₄
• mdl: MFCD01847569
• 分子量: 460.573
• InChiKey: JPXQBDMZYMNWRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl pivalate 在 盐酸 作用下， 以 乙醇 为溶剂， 以75%的产率得到2-tert-butyl-7-hydroxy-3-(1-methyl-1-H-benzimidazol-2-yl)-6-ethyl-4H-chromen-4-one
  参考文献：
  名称：

  Chemistry of hetero analogs of isoflavones 25. Synthesis of 2-alkyl-3-(2-benzimidazolyl)-chromones

  摘要：

  2-Alkyl-3-(1-methyl-2-benzimidazolyl)-7-acyloxychromones were synthesized by the reaction of substituted or unsubstituted 2-(2,4-dihydroxyphenacyl)-1-methylbenzimidazoles with the acid chlorides and anhydrides of carboxylic acids. The products were converted into 2-alkyl-7-hydroxychromones as a result of acid hydrolysis.

  DOI：

  10.1007/s10593-008-0015-7
• 作为产物：
  描述：

  三甲基乙酰氯 、 乙酮,1-(5-乙基-2,4-二羟基苯基)-2-(1-甲基-1H-苯并咪唑-2-基)- 在 吡啶 作用下， 以70%的产率得到2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl pivalate
  参考文献：
  名称：

  Chemistry of hetero analogs of isoflavones 25. Synthesis of 2-alkyl-3-(2-benzimidazolyl)-chromones

  摘要：

  2-Alkyl-3-(1-methyl-2-benzimidazolyl)-7-acyloxychromones were synthesized by the reaction of substituted or unsubstituted 2-(2,4-dihydroxyphenacyl)-1-methylbenzimidazoles with the acid chlorides and anhydrides of carboxylic acids. The products were converted into 2-alkyl-7-hydroxychromones as a result of acid hydrolysis.

  DOI：

  10.1007/s10593-008-0015-7

文献信息

• Chemistry of hetero analogs of isoflavones 25. Synthesis of 2-alkyl-3-(2-benzimidazolyl)-chromones
  作者：M. S. Frasinyuk、V. P. Khilya

  DOI：10.1007/s10593-008-0015-7

  日期：2008.1

  2-Alkyl-3-(1-methyl-2-benzimidazolyl)-7-acyloxychromones were synthesized by the reaction of substituted or unsubstituted 2-(2,4-dihydroxyphenacyl)-1-methylbenzimidazoles with the acid chlorides and anhydrides of carboxylic acids. The products were converted into 2-alkyl-7-hydroxychromones as a result of acid hydrolysis.