6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione | 1523187-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione
• CAS: 1523187-48-5
• 化学式: C₂₀H₂₄O₅
• 分子量: 344.408
• InChiKey: WXFCLUQTXFYDMO-UKTHLTGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione 在 碘苯二乙酸 、 cadmium(II) chloride 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 21.0h， 生成 (E)-3-hydroxy-5-{[7-isothiocyanato-3,7-dimethyl-6-(phenylselanyl)oct-2-en-1-yl]oxy}-7-methoxy-3,6-dimethylisobenzofuran-1(3H)-one
  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
• 作为产物：
  描述：

  dimethyl 5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-4-methylbenzene-1,2-dicarboxylate 在 甲醇 、 乙酸酐 、 potassium hydroxide 作用下， 反应 8.0h， 生成 6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione
  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.