6-[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione | 1523187-51-0

• 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,6E)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione
• CAS: 1523187-51-0
• 化学式: C₃₆H₄₂O₆Si
• 分子量: 598.811
• InChiKey: QIQINKADDWLCMF-QKVOSHPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-5-methyl-2-benzofuran-1,3-dione 、 甲基溴化镁 在 cadmium(II) chloride 、 四丁基氟化铵 作用下， 以 乙醚 为溶剂， 反应 9.0h， 以65 mg的产率得到3-hydroxy-5-(((2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-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：

  8-hydroxygeranyl acetate 在 咪唑 、 甲醇 、 偶氮二甲酸二异丙酯 、 乙酸酐 、 potassium carbonate 、 三苯基膦 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 28.0h， 生成 6-[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-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.