Acetic acid 3-acetoxy-5-azido-phenyl ester | 593249-78-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: Acetic acid 3-acetoxy-5-azido-phenyl ester
• 英文别名: (3-acetyloxy-5-azidophenyl) acetate
• CAS: 593249-78-6
• 化学式: C₁₀H₉N₃O₄
• 分子量: 235.199
• InChiKey: KWPRRSGVTLLBGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101.36
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 3-acetoxy-5-azido-phenyl ester 在 palladium on activated charcoal 亚硝酸特丁酯 、 三氟化硼乙醚 、 氢气 作用下， 生成
  参考文献：
  名称：

  Synthesis of resveratrol using a direct decarbonylative Heck approach from resorcylic acid

  摘要：

  The phytoalexin resveratrol has been made using a decarbonylative Heck reaction. The acid chloride derived from 3.5-dihydroxybenzoic acid was coupled with 4-acetoxystyrene in the presence of palladium acetate and N,N-bis-(2,6-diisopropylphenyl)dihvdroimidazolium chloride to give the substituted stilbene in 73%, yield as the key step. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(03)01131-6
• 作为产物：
  描述：

  5-氨基-1,3-苯二酚 在 吡啶 、 盐酸 、 sodium nitrite 作用下， 生成 Acetic acid 3-acetoxy-5-azido-phenyl ester
  参考文献：
  名称：

  Synthesis of resveratrol using a direct decarbonylative Heck approach from resorcylic acid

  摘要：

  The phytoalexin resveratrol has been made using a decarbonylative Heck reaction. The acid chloride derived from 3.5-dihydroxybenzoic acid was coupled with 4-acetoxystyrene in the presence of palladium acetate and N,N-bis-(2,6-diisopropylphenyl)dihvdroimidazolium chloride to give the substituted stilbene in 73%, yield as the key step. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(03)01131-6