3-[N-(aminocarbonyl)-N-[4-(3-chloro-1,4-dihydro-1,4-di-oxonaphthalen-2-yloxy)phenyl]amino]-2-methylpropanoic acid | 1310679-90-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[N-(aminocarbonyl)-N-[4-(3-chloro-1,4-dihydro-1,4-di-oxonaphthalen-2-yloxy)phenyl]amino]-2-methylpropanoic acid
• 英文别名: 3-[N-(aminocarbonyl)-N-[4-(3-chloro-1,4-dihydro-1,4-dioxonaphthalen-2-yloxy)phenyl]amino]-2-methylpropanoic acid；3-[N-carbamoyl-4-(3-chloro-1,4-dioxonaphthalen-2-yl)oxyanilino]-2-methylpropanoic acid
• CAS: 1310679-90-3
• 化学式: C₂₁H₁₇ClN₂O₆
• 分子量: 428.829
• InChiKey: SJTORPJFJNJOAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[N-(aminocarbonyl)-N-[4-(3-chloro-1,4-dihydro-1,4-di-oxonaphthalen-2-yloxy)phenyl]amino]-2-methylpropanoic acid 在 盐酸 、 水 作用下， 反应 1.5h， 以90%的产率得到3-chloro-4-hydroxynaphthalene-1,2-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
• 作为产物：
  描述：

  1-[4-(3-chloro-1,4-dihydro-1,4-dioxonaphthalen-2-yloxy)-phenyl]-5,6-dihydro-5-methylpyrimidine-2,4(1H,3H)-dione 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 以81%的产率得到3-[N-(aminocarbonyl)-N-[4-(3-chloro-1,4-dihydro-1,4-di-oxonaphthalen-2-yloxy)phenyl]amino]-2-methylpropanoic acid
  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