dimethyl 5-hydroxy-3-methoxy-4-methylphthalate | 219646-64-7

• 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: dimethyl 5-hydroxy-3-methoxy-4-methylphthalate
• 英文别名: 5-hydroxy-3-methoxy-4-methylphthalate；dimethyl 5-hydroxy-3-methoxy-4-methylbenzene-1,2-dicarboxylate
• CAS: 219646-64-7
• 化学式: C₁₂H₁₄O₆
• 分子量: 254.24
• InChiKey: IPQBRERSIXWNRR-UHFFFAOYSA-N

物化性质

• 沸点：
  399.2±37.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl 5-hydroxy-3-methoxy-4-methylphthalate 在 氢氧化钾 、 sodium tetrahydroborate 、 乙酸酐 、 potassium carbonate 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 6-hydroxy-4-methoxy-5-methylisobenzofuran-1(3H)-one
  参考文献：
  名称：

  Hariprakasha; Subba Rao, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 9, p. 851 - 856

  摘要：

  DOI：
• 作为产物：
  描述：

  TMSOC6H5MeOMe 、 丁炔二酸二甲酯 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 4.0h， 生成 dimethyl 5-hydroxy-3-methoxy-4-methylphthalate
  参考文献：
  名称：

  Synthesis of a Series of Promising Isobenzofuranones for the Treatment of Acute Mucositis Caused by Chemo- and Radiotherapy

  摘要：

  A small series of 3,5-dihydroxy-7-methoxy-3,6-dimethylisobenzofuran-1(3H)-one analogues of the immunosuppressant, mycophenolate mofelite (MMF), has been identified during a screening campaign as possible mediators to prevent mucositis. Herein, we present a general seven-step approach for the preparation of small molecule mycophenolate mofelite analogues, which are readily available for further biological evaluation in our mucositis model.

  DOI：

  10.1055/s-0033-1340060

文献信息

• Synthesis of a Series of Promising Isobenzofuranones for the Treatment of Acute Mucositis Caused by Chemo- and Radiotherapy
  作者：Laure Bouchez、Maude Patoor、Philippe Neuner、Heinz Ruffner、Carsten Spanka

  DOI：10.1055/s-0033-1340060

  日期：——

  A small series of 3,5-dihydroxy-7-methoxy-3,6-dimethylisobenzofuran-1(3H)-one analogues of the immunosuppressant, mycophenolate mofelite (MMF), has been identified during a screening campaign as possible mediators to prevent mucositis. Herein, we present a general seven-step approach for the preparation of small molecule mycophenolate mofelite analogues, which are readily available for further biological evaluation in our mucositis model.
• Hariprakasha; Subba Rao, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1998, vol. 37, # 9, p. 851 - 856
  作者：Hariprakasha、Subba Rao

  DOI：——

  日期：——