4-methylphenyl 3,4,5-trimethoxybenzoate | 129194-52-1

• 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: 4-methylphenyl 3,4,5-trimethoxybenzoate
• 英文别名: 3,4,5-trimethoxy-benzoic acid p-tolyl ester；3,4,5-Trimethoxy-benzoesaeure-p-tolylester；(4-methylphenyl) 3,4,5-trimethoxybenzoate
• CAS: 129194-52-1
• 化学式: C₁₇H₁₈O₅
• 分子量: 302.327
• InChiKey: GWDYRDQJDNNCME-UHFFFAOYSA-N

物化性质

• 熔点：
  89 °C
• 沸点：
  398.2±12.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,4,5-trimethoxybenzoyl azide 、 alkaline earth salt of/the/ methylsulfuric acid 在 丙酮 作用下， 生成 4-methylphenyl 3,4,5-trimethoxybenzoate
  参考文献：
  名称：

  Pepe, Anales des la Asociacion Quimica Argentina, 1941, vol. 29, p. 124,125

  摘要：

  DOI：

文献信息

• N-heterocyclic carbenes: IX. Oxidative esterification of aromatic aldehydes with arylboronic acids catalyzed by N-heterocyclic carbenes
  作者：M. S. Denisov、A. A. Gorbunov、V. A. Glushkov

  DOI：10.1134/s1070428015010145

  日期：2015.1

  Aromatic aldehydes reacted with arylboronic acids under catalysis by N-heterocyclic carbene and oxic conditions to produce phenol esters.
• Polar effects in the decomposition of bis(3-alkoxyaroyl) peroxides. Synthesis of 8-alkoxy-6H-dibenzo[b,d]pyran-6-ones
  作者：Sergio Auricchio、Attilio Citterio、Roberto Sebastiano

  DOI：10.1021/jo00313a018

  日期：1990.12

  The reaction of four substituted bis(3-alkoxybenzoyl) peroxides (1b-e) in neat phenols (2a-e) affords mainly 8-alkoxy-6H-dibenzo[b,d]pyran-6-ones (7) and ortho-benzoyloxylation products (4) of the phenol. Diaroyl peroxides without electron-releasing meta substituents afford essentially products 4. A mechanism involving monoelectronic oxidation of the phenol by the peroxide and biaryl coupling by preferential addition of the phenol radical cation to the ortho positions to the alkoxy group of the diaroyl peroxide is suggested.
• AURICCHIO, SERGIO;CITTERIO, ATTILIO;SEBASTIANO, ROBERTO, J. ORG. CHEM., 55,(1990) N6, C. 6312-6316
  作者：AURICCHIO, SERGIO、CITTERIO, ATTILIO、SEBASTIANO, ROBERTO

  DOI：——

  日期：——
• Pepe, Anales des la Asociacion Quimica Argentina, 1941, vol. 29, p. 124,125
  作者：Pepe

  DOI：——

  日期：——