4-oxo-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid | 110090-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-oxo-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid
• 英文别名: (E)-4-(4-anilinoanilino)-4-oxobut-2-enoic acid
• CAS: 110090-63-6
• 化学式: C₁₆H₁₄N₂O₃
• 分子量: 282.299
• InChiKey: QBYWTLIASGXCDV-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为产物：
  描述：

  马来酸酐 、 对氨基二苯胺 以 乙酸乙酯 为溶剂， 反应 3.0h， 以95%的产率得到4-oxo-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid
  参考文献：
  名称：

  针对铜绿假单胞菌铁调节血红素加氧酶 (HemO) 的小分子抗毒剂

  摘要：

  细菌需要铁来生存和发挥毒力，并采用多种机制，包括利用含有蛋白质的宿主血红素。释放铁的最后一步是 HemO 对血红素的氧化裂解。最近的计算机辅助药物设计 (CADD) 研究确定了细菌 HemO 的几种抑制剂。在此，我们报告了在抑制剂 ( E )-3-(4-(苯基氨基)苯基氨基甲酰基)丙烯酸不存在和存在的情况下，铜绿假单胞菌HemO几乎完全的 HN、N、CO、Cα 和 Cβ 化学位移分配( 3 ) 和 ( E ) -N '-(4-(二甲氨基)苯亚甲基)二氮烯甲酰亚胺酰肼 ( 5）。NMR 数据证实抑制剂结合在 HemO 的血红素口袋内，与计算机分子动力学模拟一致。抑制剂和3的苯氧基衍生物均对铜绿假单胞菌临床分离株具有活性。此外，5在体内秀丽隐杆线虫固化试验中显示出抗菌活性。因此，针对宿主内所需的毒力机制是开发新型抗毒剂的可行抗菌策略。

  DOI：

  10.1021/jm301819k

文献信息

• Process for the preparation of 4-OXO-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid
  申请人：Baranski R. John

  公开号：US20060089511A1

  公开（公告）日：2006-04-27

  A process for the preparation of 4-oxo-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid includes reacting p-aminodiphenyl amine and maleic anhydride in a reaction first mixture containing a volatile organic solvent under suitable reaction conditions to provide a second mixture containing 4-oxo-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid product; subjecting the second mixture to vacuum distillation to remove the volatile organic solvent while simultaneously adding diluent oil to produce a dispersion of 4-oxo-4-((4-(phenylamino)phenyl)amino)-2-butenoic acid in the diluent oil.

  制备4-氧代-4-((4-(苯胺基)苯基)氨基)-2-丁烯酸的方法包括在适当的反应条件下，将对氨基二苯胺和马来酸酐反应于第一混合物中，该混合物包含挥发性有机溶剂，以得到含有4-氧代-4-((4-(苯胺基)苯基)氨基)-2-丁烯酸产物的第二混合物；将第二混合物经真空蒸馏去除挥发性有机溶剂，同时加入稀释油，以产生4-氧代-4-((4-(苯胺基)苯基)氨基)-2-丁烯酸在稀释油中的分散体。
• An improved high solids coating composition of a low molecular weight acrylic polymer and a nitrogen resin cross-linking agent, and a substrate coated therewith
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0029596A1

  公开（公告）日：1981-06-03

  The improved high solids coating composition contains at least 50% by weight of a binder of film-forming constituents in which the constituents are of (A) an acrylic polymer that has a number average molecular weight of about 500-10,000 and preferably 500-4,500, a hydroxyl content of at least 2% by weight, a glass transition temperature of about -20°C to +20°C and contains about 2-10% by weight of a chain transfer agent, and is of an alkyl methacrylate, a hydroxyalkyl acrylate or a hydroxyalkyl methacrylate, and optionally, an alkyl acrylate or styrene and (B) an alkylated melamine formaldehyde cross-linking agent; the improvement used with this composition is the addition of select ultraviolet light stabilizers and optionally, antioxidants. The composition is particularly useful for clear cost/color coat exterior finishes for automobiles, trucks and airplanes.

  改进型高固体分涂料组合物含有至少 50%（按重量计）的成膜成分粘结剂，其中的成膜成分包括 (A) 丙烯酸聚合物，其平均分子量约为 500-10,000，最好为 500-4,500，羟基含量至少为 2%（按重量计），玻璃化温度约为 -20°C 至 +20°C，并含有约 2-10%（按重量计）的链转移剂，且其成分为 甲基丙烯酸烷基酯 丙烯酸羟烷基酯或 甲基丙烯酸羟烷基酯、 和可选的烷基 丙烯酸酯或苯乙烯，以及 (B) 烷基化三聚氰胺甲醛交联剂； 该组合物的改进之处在于添加了特定的紫外线稳定剂和抗氧化剂。这种组合物特别适用于汽车、卡车和飞机的透明成本/彩色涂层外饰面。
• An improved high solids coating composition of a low molecular weight acrylic polymer and a polyisocyanate cross-linking agent, and a substrate coated therewith
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0029598A1

  公开（公告）日：1981-06-03

  An improved high solids coating composition that contains at least 50% by weight of a binder of film-forming constituents in which the constituents are of (A) an acrylic polymer that has a number average molecular weight of about 500-10,000, a hydroxyl content of at least 2% by weight and contains about 2-10% by weight of a chain transfer agent, and consists essentially of an alkyl methacrylate, a hydroxyalkyl acrylate, ora hydroxyalkyl methacrylate; and optionally, an alkyl acrylate or styrene and (B) an organic polyisocyanate cross-linking agent; the improvement used with this composition is the addition of select ultraviolet light stabilizers and optionally, antioxidants. The composition is particularly useful for clear coat/color coat exterior finishes for automobiles, trucks and airplanes.

  一种改进的高固体份涂料组合物，它含有至少 50%（重量）成膜成分的粘结剂，其中的成膜成分是 (A) 丙烯酸聚合物，其平均分子量约为 500-10,000，羟基含量至少为 2%（按重量计），并含有约 2-10%（按重量计）的链转移剂，其主要成分为 甲基丙烯酸烷基酯、丙烯酸羟烷基酯或甲基丙烯酸羟烷基酯；以及可选的丙烯酸烷基酯或苯乙烯；以及 (B) 有机多异氰酸酯交联剂；该组合物的改进之处在于添加了紫外线稳定剂和抗氧化剂。该组合物尤其适用于汽车、卡车和飞机的透明涂层/彩色涂层外饰面。
• A coating composition based on acrylic polymer blends, articles coated therewith, and process for preparing said coated articles
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0029593A1

  公开（公告）日：1981-06-03

  A liquid coating composition is disclosed consisting essentially of an acrylic polymer blend, an inert organic solvent, an ultraviolet light stabilizer, and an antioxidant. The weatherability and durability of finishes prepared therefrom are significantly increased.

  本发明公开了一种液体涂料组合物，主要由丙烯酸聚合物混合物、惰性有机溶剂、紫外线稳定剂和抗氧化剂组成。由此制备的饰面的耐候性和耐久性显著提高。
• An improved high solids coating composition of a low molecular weight glycidyl acrylic polymer and an alkylated melamine cross-linking agent, and a substrate coated therewith
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0029595A1

  公开（公告）日：1981-06-03

  The improved high solids coating composition contains at least 50% by weight of a binder of film-forming constituents in which the constituents are of (A) an acrylic polymer that has a number average molecular weight of about 500-10,000, and is of glycidyl methacrylate, an alkyl methacrylate, and optionally an alkyl acrylate, a hydroxyalkyl methacrylate, a hydroxyalkyl acrylate or styrene; (B) an alkylated melamine formaldehyde cross-linking agent; the improvement used with this composition is the addition of select ultraviolet light stabilizers and optionally, antioxidants. The composition is particularly useful for clear coat/color coat exterior finishes for automobiles, trucks and airplanes.

  改进型高固体分涂料组合物含有至少 50%（按重量计）的成膜成分粘结剂，其中的成膜成分包括 (A) 丙烯酸聚合物，其平均分子量约为 500-10,000，且具有以下特性 甲基丙烯酸缩水甘油酯 甲基丙烯酸烷基酯，以及可选的 一种丙烯酸烷基酯 一种甲基丙烯酸羟烷基酯、 一种丙烯酸羟烷基酯或 苯乙烯； (B) 烷基化三聚氰胺甲醛交联剂； 该组合物的改进之处在于添加了特定的紫外线稳定剂和抗氧化剂。这种组合物特别适用于汽车、卡车和飞机的透明涂层/彩色涂层外饰面。