Methyl 5-(2,6-dioxo-7-phenylfuro[2,3-f][1]benzofuran-3-yl)-2-nitrobenzoate | 151985-90-9

• 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: Methyl 5-(2,6-dioxo-7-phenylfuro[2,3-f][1]benzofuran-3-yl)-2-nitrobenzoate
• CAS: 151985-90-9
• 化学式: C₂₄H₁₃NO₈
• 分子量: 443.369
• InChiKey: HMVLWLPFSVAEJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 5-(2,6-dioxo-7-phenylfuro[2,3-f][1]benzofuran-3-yl)-2-nitrobenzoate 在 palladium/alumina 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 2-Amino-5-(2,6-dioxo-7-phenyl-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-3-yl)-benzoic acid methyl ester
  参考文献：
  名称：

  Novel High Yielding Syntheses of Benzodifuranone Dyes Bearing Nitrogen Substituents at the 4-Position of a Pendent Phenyl Ring

  摘要：

  Otherwise inaccessible nitro benzodifuranone (BZDF) dyes are formed in good yield by treatment of 5-hydroxy-2-oxo-3-phenyl-2,3-dihydrobenzofuran either with 4NO(2)-3-R-C6H3CBrClCO2CH3 (R = H, alkyl, aryl or CO2CH3) in acetic acid. High yielding reduction of the nitro to the amino BZDF is accomplished by catalytic hydrogenation over Pd or by NaBH4/SnCl2.

  DOI：

  10.1080/00397919608003867
• 作为产物：
  描述：

  2-Amino-5-(2,6-dioxo-7-phenyl-2,6-dihydro-benzo[1,2-b;4,5-b']difuran-3-yl)-benzoic acid methyl ester 在 perborate 作用下， 生成 Methyl 5-(2,6-dioxo-7-phenylfuro[2,3-f][1]benzofuran-3-yl)-2-nitrobenzoate
  参考文献：
  名称：

  Novel High Yielding Syntheses of Benzodifuranone Dyes Bearing Nitrogen Substituents at the 4-Position of a Pendent Phenyl Ring

  摘要：

  Otherwise inaccessible nitro benzodifuranone (BZDF) dyes are formed in good yield by treatment of 5-hydroxy-2-oxo-3-phenyl-2,3-dihydrobenzofuran either with 4NO(2)-3-R-C6H3CBrClCO2CH3 (R = H, alkyl, aryl or CO2CH3) in acetic acid. High yielding reduction of the nitro to the amino BZDF is accomplished by catalytic hydrogenation over Pd or by NaBH4/SnCl2.

  DOI：

  10.1080/00397919608003867