methyl 4-bromo-2,3-dihydro-5-hydroxy-6-methyl-3-<3-(trifluoroacetamido)propyl>benzofuran-2-carboxylate | 84019-25-0

• 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: methyl 4-bromo-2,3-dihydro-5-hydroxy-6-methyl-3-<3-(trifluoroacetamido)propyl>benzofuran-2-carboxylate
• 英文别名: methyl 4-bromo-5-hydroxy-6-methyl-3-[3-[(2,2,2-trifluoroacetyl)amino]propyl]-2,3-dihydro-1-benzofuran-2-carboxylate
• CAS: 84019-25-0
• 化学式: C₁₆H₁₇BrF₃NO₅
• 分子量: 440.214
• InChiKey: SELOVNQXTUGDHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl 4-bromo-2,3-dihydro-5-hydroxy-6-methyl-3-<3-(trifluoroacetamido)propyl>benzofuran-2-carboxylate 在 ammonium cerium(IV) nitrate 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以42%的产率得到methyl 6-trifluoroacetamido-3-(2-bromo-4-methyl-3,6-dioxo-1,4-cyclohexadienyl)-2-hydroxyhexanoate
  参考文献：
  名称：

  Synthesis of 4,7-Indolequinones by Photoinduced Reaction of Azidoquinones

  摘要：

  Various azidoquinones were prepared from methyl 3-substituted 2,3-dihydro-5-hydroxy-6-methylbenzofuran-2-carboxylate. Irradiation of these azidoquinones gave methyl 3-substituted 6-methyl-4,7-dioxoindole-2-carboxylates, a model of mitomycin analogs, in a moderate yield.

  DOI：

  10.1246/bcsj.55.2922
• 作为产物：
  描述：

  methyl 2,3-dihydro-5-hydroxy-6-methyl-3-<3-(trifluoroacetamido)propyl>benzofuran-2-carboxylate 在 溴 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以60%的产率得到methyl 4-bromo-2,3-dihydro-5-hydroxy-6-methyl-3-<3-(trifluoroacetamido)propyl>benzofuran-2-carboxylate
  参考文献：
  名称：

  Synthesis of 4,7-Indolequinones by Photoinduced Reaction of Azidoquinones

  摘要：

  Various azidoquinones were prepared from methyl 3-substituted 2,3-dihydro-5-hydroxy-6-methylbenzofuran-2-carboxylate. Irradiation of these azidoquinones gave methyl 3-substituted 6-methyl-4,7-dioxoindole-2-carboxylates, a model of mitomycin analogs, in a moderate yield.

  DOI：

  10.1246/bcsj.55.2922

文献信息

• KOZUKA, TADASHI, BULL. CHEM. SOC. JAP., 1982, 55, N 9, 2922-2927
  作者：KOZUKA, TADASHI

  DOI：——

  日期：——