[6-(5-Hydroxy-pentyl)-6-methoxy-[1,2]dioxan-3-yl]-acetic acid methyl ester | 725736-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: [6-(5-Hydroxy-pentyl)-6-methoxy-[1,2]dioxan-3-yl]-acetic acid methyl ester
• CAS: 725736-64-1
• 化学式: C₁₃H₂₄O₆
• 分子量: 276.33
• InChiKey: KGBIPNOIDXIXNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.56
• 重原子数：
  19.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  74.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3aS,4S,6aR)-4-(4-isocyanatobutyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 、 [6-(5-Hydroxy-pentyl)-6-methoxy-[1,2]dioxan-3-yl]-acetic acid methyl ester 以 乙腈 为溶剂， 生成 methyl 2-[6-[5-[4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butylcarbamoyloxy]pentyl]-6-methoxydioxan-3-yl]acetate
  参考文献：
  名称：

  Synthesis of a bioprobe for elucidation of target molecule of spongean anti-malarial peroxides

  摘要：

  The reactants of an anti-malarial peroxide having a 6-carbomethoxymethyl-3-methoxy-1,2-dioxane moiety treated with FeSO4 were analyzed. For mechanistic study of the anti-malarial peroxide, two biotinylated probes to elucidate the target molecules were designed and synthesized. The two synthesized probes showed potent anti-malarial activity, and one of them was proved to form an irreversible binding with protein in a model experiment. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.086
• 作为产物：
  描述：

  methyl (2E)-6-oxoundeca-2,10-dienoate 在 咪唑 、 双氧水 、 氟化氢吡啶 、 9-硼双环[3.3.1]壬烷 、 尿素 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 [6-(5-Hydroxy-pentyl)-6-methoxy-[1,2]dioxan-3-yl]-acetic acid methyl ester
  参考文献：
  名称：

  Synthesis of a bioprobe for elucidation of target molecule of spongean anti-malarial peroxides

  摘要：

  The reactants of an anti-malarial peroxide having a 6-carbomethoxymethyl-3-methoxy-1,2-dioxane moiety treated with FeSO4 were analyzed. For mechanistic study of the anti-malarial peroxide, two biotinylated probes to elucidate the target molecules were designed and synthesized. The two synthesized probes showed potent anti-malarial activity, and one of them was proved to form an irreversible binding with protein in a model experiment. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.086