1,1'-[(1,4-dihydro-1,4-dioxo-2,3-naphthalenediyl)bis-(oxy-3,1-phenylene)]bis(5,6-dihydropyrimidine-2,4(1H,3H)-dione) | 1310679-91-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,1'-[(1,4-dihydro-1,4-dioxo-2,3-naphthalenediyl)bis-(oxy-3,1-phenylene)]bis(5,6-dihydropyrimidine-2,4(1H,3H)-dione)
• 英文别名: 1-[3-[[3-[3-(2,4-Dioxohexahydropyrimidin-1-yl)phenoxy]-1,4-dioxo-2-naphthyl]oxy]phenyl]hexahydropyrimidine-2,4-dione；1-[3-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-1,4-dioxonaphthalen-2-yl]oxyphenyl]-1,3-diazinane-2,4-dione
• CAS: 1310679-91-4
• 化学式: C₃₀H₂₂N₄O₈
• 分子量: 566.527
• InChiKey: UKSFLHBPGMNKIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 、 1-(3-hydroxyphenyl)dihydropyrimidine-2,4(1H,3H)-dione 在 sodium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 以87%的产率得到1,1'-[(1,4-dihydro-1,4-dioxo-2,3-naphthalenediyl)bis-(oxy-3,1-phenylene)]bis(5,6-dihydropyrimidine-2,4(1H,3H)-dione)
  参考文献：
  名称：

  Synthesis, chemical properties, and antimicrobial activity of 2- and 2,3-substituted [(tetrahydro-2,4-dioxopyrimidin-1(2H)-yl)phenoxy]naphthalene-1,4-diones

  摘要：

  Mono- and disubstituted [(tetrahydro-2,4-dioxopyrimidin-1(2H)-yl)phenoxy]naphthalene-1,4-diones were synthesized by the reaction of dihydro-1-(3-hydroxy- and 4-hydroxyphenyl)pyrimidine-2,4(1H,3H)-diones and their 5- and 6-methyl derivatives with 2,3-dichloro-1,4-naphthoquinone. Their stability in alkaline and acidic media was investigated. Four of the compounds exhibited good antimicrobial activity against Staphylococcus aureus, Mycobacterium luteum, Candida tenuis, and Aspergillus niger.

  DOI：

  10.1007/s00706-011-0466-x