7-N-(p-methoxybenzyl)acremolin | 1431944-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-N-(p-methoxybenzyl)acremolin
• 英文别名: 3-[(4-Methoxyphenyl)methyl]-5-methyl-7-propan-2-ylimidazo[2,1-b]purin-4-one；3-[(4-methoxyphenyl)methyl]-5-methyl-7-propan-2-ylimidazo[2,1-b]purin-4-one
• CAS: 1431944-95-4
• 化学式: C₁₉H₂₁N₅O₂
• 分子量: 351.408
• InChiKey: YYPKQIRWNLCXFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-N-(p-methoxybenzyl)acremolin 在 三氟乙酸 作用下， 反应 15.0h， 以76%的产率得到acremolin
  参考文献：
  名称：

  Acremolin from Acremonium strictum is N²,3-Etheno-2′-isopropyl-1-methylguanine, not a 1H-Azirine. Synthesis and Structural Revision

  摘要：

  The first synthesis of the heterocyclic marine natural product, acremolin, is reported along with the revision of the structure from a 1H-azirine to a substituted N-2,3-ethenoguanine (5-methyl-7-isopropyl-4,5-dihydroimidazo[2,1-b]purine). Additional properties of acremolin are also described including its H-1-N-15-HMBC and fluorescence spectra.

  DOI：

  10.1021/ol400752s
• 作为产物：
  描述：

  鸟苷 在 盐酸 、 sodium hydride 、 potassium carbonate 作用下， 以 水 、 二甲基亚砜 、 乙腈 为溶剂， 反应 56.75h， 生成 7-N-(p-methoxybenzyl)acremolin
  参考文献：
  名称：

  Acremolin from Acremonium strictum is N²,3-Etheno-2′-isopropyl-1-methylguanine, not a 1H-Azirine. Synthesis and Structural Revision

  摘要：

  The first synthesis of the heterocyclic marine natural product, acremolin, is reported along with the revision of the structure from a 1H-azirine to a substituted N-2,3-ethenoguanine (5-methyl-7-isopropyl-4,5-dihydroimidazo[2,1-b]purine). Additional properties of acremolin are also described including its H-1-N-15-HMBC and fluorescence spectra.

  DOI：

  10.1021/ol400752s

文献信息

• Acremolin from <i>Acremonium strictum</i> is <i>N</i>²,3-Etheno-2′-isopropyl-1-methylguanine, not a 1<i>H</i>-Azirine. Synthesis and Structural Revision
  作者：Lawrence A. Januar、Tadeusz F. Molinski

  DOI：10.1021/ol400752s

  日期：2013.5.17

  The first synthesis of the heterocyclic marine natural product, acremolin, is reported along with the revision of the structure from a 1H-azirine to a substituted N-2,3-ethenoguanine (5-methyl-7-isopropyl-4,5-dihydroimidazo[2,1-b]purine). Additional properties of acremolin are also described including its H-1-N-15-HMBC and fluorescence spectra.