2-benzoyloxy-4-hydroxybenzaldehyde | 106737-92-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-benzoyloxy-4-hydroxybenzaldehyde
• 英文别名: 2-Benzoyloxy-4-hydroxy-benzaldehyde；(2-formyl-5-hydroxyphenyl) benzoate
• CAS: 106737-92-2
• 化学式: C₁₄H₁₀O₄
• 分子量: 242.231
• InChiKey: VPBSMQBOUQAPON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯二酚 在 氢氧化钾 、 三氯氧磷 作用下， 生成 2-benzoyloxy-4-hydroxybenzaldehyde
  参考文献：
  名称：

  Braude et al., Journal of the Chemical Society, 1958, p. 3336,3340

  摘要：

  DOI：

文献信息

• ——
  作者：Zhiyong Hu、Michaele J. Hardie、Pannee Burckel、A. Alan Pinkerton、Paul W. Erhardt

  DOI：10.1023/a:1009570027191

  日期：——

  2,4-Dihydroxybenzaldehyde can be acylated at the 2 position if the more reactive 4 position is first protected as the methylmethoxy ether. Deprotection permits isolation of 2-benzoyloxy-4-hydroxybenzaldehyde. 2,4-Dihydroxybenzaldehyde, C7H6O3, crystallizes in P2(1)/c, with a = 7.3762(6), b = 11.7455(9), c = 7.3149(6) Angstrom, beta = 90.533(2)degrees, Z = 4, and D-X = 1.448 g cm(-3). The individual molecules are characterized by an intramolecular hydrogen bond. The molecules form sheets with additional intermolecular hydrogen bonds. 2-Benzoyloxy-4-hydroxybenzaldehyde, C14H10O2, crystallizes in Pca2(1), with a = 24.2629(14), b = 3.8445(2), c = 12.3727(8) Angstrom, Z = 4, and D-X = 1.394 g cm(-3). The molecules consist of two planar halves twisted by 51.63(5)degrees about the ester linkage. Intermolecular hydrogen bonding joins the molecules into ribbons approximately parallel to c.
• Braude et al., Journal of the Chemical Society, 1958, p. 3336,3340
  作者：Braude et al.

  DOI：——

  日期：——