2,2-Dimethylpropanoyl 3,5-diacetyloxybenzoate | 593249-77-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,2-Dimethylpropanoyl 3,5-diacetyloxybenzoate
• 英文别名: 2,2-dimethylpropanoyl 3,5-diacetyloxybenzoate
• CAS: 593249-77-5
• 化学式: C₁₆H₁₈O₇
• 分子量: 322.315
• InChiKey: SLLYBQCNAHUSET-UHFFFAOYSA-N

物化性质

• 沸点：
  461.6±45.0 °C(Predicted)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  96
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,2-Dimethylpropanoyl 3,5-diacetyloxybenzoate 在 N-甲基吗啉 、 palladium diacetate 、 sodium hydroxide 、 1,3-双-(2,6-二异丙基苯基)咪唑鎓氯化物 作用下， 以 四氢呋喃 、 xylene 为溶剂， 生成 白藜芦醇
  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：

  3,5-二羟基苯甲酸 在 吡啶 、 三乙胺 作用下， 生成 2,2-Dimethylpropanoyl 3,5-diacetyloxybenzoate
  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

文献信息

• Synthesis of resveratrol using a direct decarbonylative Heck approach from resorcylic acid
  作者：Merritt B. Andrus、Jing Liu、Erik L. Meredith、Edward Nartey

  DOI：10.1016/s0040-4039(03)01131-6

  日期：2003.6

  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.