methyl 3,5-diformyl-2,4-dihydroxybenzoate

• 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 3,5-diformyl-2,4-dihydroxybenzoate
• 英文别名: Methyl 3,5-diformyl-2,4-dihydroxybenzoate
• 化学式: C₁₀H₈O₆
• 分子量: 224.17
• InChiKey: IOQCALLYCRRVSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 3,5-diformyl-2,4-dihydroxybenzoate 、 2,3,7-trimethyl-1,3-benzoxazin-4-onium perchlorate 在 溶剂黄146 作用下， 反应 0.12h， 生成
  参考文献：
  名称：

  New polyfunctional spiropyran of 1,3-benzoxazin-4-one series with carbonyl-containing substituents in the [2H]-chromene moiety

  摘要：

  A polyfunctional spiropyran of 1,3-benzoxazin-4-one series containing one hydroxy and two carbonyl substituents in the [2H]-chromene moiety was synthesized on the basis of a new analogue of 2,4-dihydroxyisophthalic aldehyde, methyl 3,5-diformyl-2,4-dihydroxybenzoate. The structure of resulting 6'-carbomethoxy-3,7-dimethyl-8'-formyl-5'-hydroxy-4-oxo-spiro-(1,3-benzoxazine-2,2'-[2H]-chromene) was unambiguously established by single crystal X-ray diffraction analysis. These data allowed us to reveal the route for the reaction of the new polyfunctional aldehyde with 1,3-benzoxazin-4-onium perchlorate.

  DOI：

  10.1134/s0012500817110040
• 作为产物：
  描述：

  乌洛托品 、 2,4-二羟基苯甲酸甲酯 在 三氟乙酸 、 三氟乙酸酐 、 盐酸 、 水 作用下， 反应 11.0h， 以57.5%的产率得到methyl 3,5-diformyl-2,4-dihydroxybenzoate
  参考文献：
  名称：

  New polyfunctional spiropyran of 1,3-benzoxazin-4-one series with carbonyl-containing substituents in the [2H]-chromene moiety

  摘要：

  A polyfunctional spiropyran of 1,3-benzoxazin-4-one series containing one hydroxy and two carbonyl substituents in the [2H]-chromene moiety was synthesized on the basis of a new analogue of 2,4-dihydroxyisophthalic aldehyde, methyl 3,5-diformyl-2,4-dihydroxybenzoate. The structure of resulting 6'-carbomethoxy-3,7-dimethyl-8'-formyl-5'-hydroxy-4-oxo-spiro-(1,3-benzoxazine-2,2'-[2H]-chromene) was unambiguously established by single crystal X-ray diffraction analysis. These data allowed us to reveal the route for the reaction of the new polyfunctional aldehyde with 1,3-benzoxazin-4-onium perchlorate.

  DOI：

  10.1134/s0012500817110040

文献信息

• New polyfunctional spiropyran of 1,3-benzoxazin-4-one series with carbonyl-containing substituents in the [2H]-chromene moiety
  作者：I. V. Ozhogin、V. V. Tkachev、B. S. Lukyanov、G. V. Shilov、E. L. Mukhanov、G. T. Vasilyuk、S. M. Aldoshin、V. I. Minkin

  DOI：10.1134/s0012500817110040

  日期：2017.11

  A polyfunctional spiropyran of 1,3-benzoxazin-4-one series containing one hydroxy and two carbonyl substituents in the [2H]-chromene moiety was synthesized on the basis of a new analogue of 2,4-dihydroxyisophthalic aldehyde, methyl 3,5-diformyl-2,4-dihydroxybenzoate. The structure of resulting 6'-carbomethoxy-3,7-dimethyl-8'-formyl-5'-hydroxy-4-oxo-spiro-(1,3-benzoxazine-2,2'-[2H]-chromene) was unambiguously established by single crystal X-ray diffraction analysis. These data allowed us to reveal the route for the reaction of the new polyfunctional aldehyde with 1,3-benzoxazin-4-onium perchlorate.