3-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione | 75748-27-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
• CAS: 75748-27-5
• 化学式: C₇H₆O₄
• 分子量: 154.122
• InChiKey: APHNCOMGZZKBKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.56
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.9
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  木榴油 在 1-(4-sulfonylbutyl)-3-methylimidazolium trifluoroacetate 、 1-butyl-3-methylimidazolium hydroxide 、 5,10,15,20-tetra(2',6'-dichlorophenyl)porphyrinatoiron(III) chloride 、 双氧水 作用下， 以 二氯甲烷 为溶剂， 生成 3-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
  参考文献：
  名称：

  5,10,15,20-内消旋-四芳基卟啉铁（III）氯化物/三氟甲磺酸盐和酸性/中性/碱性咪唑鎓离子液体对苯酚的催化氧化作用

  摘要：

  研究了酸性，中性和碱性离子液体及其与二氯甲烷的二元混合物对5,10,15,20-氯化四芳基卟啉-三价铁（III）和过氧化氢催化苯酚氧化过程中铁（III）卟啉反应性的影响。 5,10,15,20-四芳基卟啉铁（III）三氟甲磺酸盐。通过粘度，密度，UV-Vis和1 H NMR光谱研究了不同ILs中卟啉铁（III）的不同中间体的生成。（TAP）Fe III -OOH的异质裂解效率以及以Cl原子为轴向配体的铁（III）卟啉（TAP）Fe III Cl形成醌的过程受咪唑部分结构和抗衡阴离子的影响[（CH 2）4 SO 3 HMIm] CF 3 COO> [Hmim] CF 3 COO> [bmim] TFA»»在[bmim] CF 3 SO 3，[Hmim] CF 3 SO 3，[bmim] BF 4，[bmim]中的量可忽略不计PF 6和[bmim] Cl。另一方面，以三氟甲磺酸盐为轴向配体的（TAP）Fe

  DOI：

  10.1016/j.molliq.2018.03.017

文献信息

• Sphaeropsidones, Phytotoxic Dimedone Methyl Ethers Produced by <i>Diplodia cupressi</i>: A Structure−Activity Relationship Study
  作者：Antonio Evidente、Lucia Maddau、Bruno Scanu、Anna Andolfi、Marco Masi、Andrea Motta、Angela Tuzi

  DOI：10.1021/np100837r

  日期：2011.4.25

  Sphaeropsidone and episphaeropsidone are two phystotoxic dimedone methyl ethers produced by Diplodia cupressi, the causal agent of:a canker disease of cypress in the Mediterranean area In this study, eight derivatives obtained by chemical modifications,and two natural analogues were assayed for,phytotoxic and antifungal activities, and a, structure-activity relationship was examined Each compound was tested on nonhost plants and on five fungal pathogenic :species belonging to the. genus Phytophthora. The results provide insights into structure-activity relationships within these compounds. It was found that the hydroxy group at C-5, the absolute C-5 configuration, the epoxy group, and the C-2 carbonyl croup appear to be structural features important in conferring biological activity. The conversion of sphaeropsidone into the corresponding 1,4- dione derivative led to a compound showing greater antifungal activity than its precursor. This finding could be useful in devising new natural fungicides for practical application in agriculture.,