5-[4,5-bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one | 709024-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 5-[4,5-bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
• 英文别名: 5-[4,5-Bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one
• CAS: 709024-96-4
• 化学式: C₂₂H₂₆O₈
• 分子量: 418.444
• InChiKey: ZVFLZXTVKHFJIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  81.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-[4,5-bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one 在 氢氧化钾 、 三氯化铁 作用下， 以 乙醇 、 水 为溶剂， 生成 dehydroaltenusin
  参考文献：
  名称：

  Total synthesis of dehydroaltenusin

  摘要：

  First total synthesis of dehydroaltenusin, a natural enzyme inhibitor, is described. The key step involves Suzuki-couplig reaction of aryl triflate prepared from 2,4,6-trihydroxy benzoic acid with a catechol-derived boronic acid. The synthetic sample was evaluated as a potent inhibitor against an eukaryotic DNA polymerase a. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00072-8
• 作为产物：
  描述：

  5-hydroxy-7-methoxy-2,2-dimethyl-benzo[1,3]dioxin-4-one 在 吡啶 、 potassium phosphate 、 四(三苯基膦)钯 、 potassium bromide 作用下， 以 1,4-二氧六环 为溶剂， 生成 5-[4,5-bis(methoxymethoxy)-2-methylphenyl]-7-methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
  参考文献：
  名称：

  Total synthesis of dehydroaltenusin

  摘要：

  First total synthesis of dehydroaltenusin, a natural enzyme inhibitor, is described. The key step involves Suzuki-couplig reaction of aryl triflate prepared from 2,4,6-trihydroxy benzoic acid with a catechol-derived boronic acid. The synthetic sample was evaluated as a potent inhibitor against an eukaryotic DNA polymerase a. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00072-8

文献信息

• Total synthesis of dehydroaltenusin
  作者：Shinji Kamisuki、Shunya Takahashi、Yoshiyuki Mizushina、Shinya Hanashima、Kouji Kuramochi、Susumu Kobayashi、Kengo Sakaguchi、Tadashi Nakata、Fumio Sugawara

  DOI：10.1016/j.tet.2004.05.017

  日期：2004.6

  The first total synthesis of dehydroaltenusin, a natural enzyme inhibitor, is described. The key step involves Suzuki-coupling reaction of an aryl triflate prepared from 2,4,6-trihydroxybenzoic acid with a catechol-derived boronic acid or boronic ester. The synthetic product was evaluated as a potent inhibitor against eukaryotic DNA polymerase a and other DNA polymerases. (C) 2004 Elsevier Ltd. All rights reserved.