ethyl 1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5-carboxylate | 41534-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5-carboxylate
• 英文别名: 1,3-dimethyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carboxylic acid ethyl ester；1,3-dimethyl-5-ethoxycarbonyl-barbituric acid；1,3-dimethyl-5-ethoxycarbonylbarbituric acid；1,3-Dimethylbarbitursaeure-5-carbonsaeure-ethylester；ethyl 1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxylate
• CAS: 41534-54-7
• 化学式: C₉H₁₂N₂O₅
• 分子量: 228.205
• InChiKey: WAZGCSWFSYYRMH-UHFFFAOYSA-N

物化性质

• 沸点：
  310.6±52.0 °C(Predicted)
• 密度：
  1.325±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5-carboxylate 在 三氯氧磷 作用下， 反应 3.0h， 生成 Ethyl 4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
  参考文献：
  名称：

  MAPK/ERK KINASE INHIBITORS

  摘要：

  提供了与MEK一起使用的化合物、药物组合物、试剂盒和方法，其中包括从以下组中选择的化合物：其中变量如本文所定义。

  公开号：

  US20080125437A1
• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 、 氯甲酸乙酯 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到ethyl 1,3-dimethyl-2,4,6-trioxohexahydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Inhibition of CorA-Dependent Magnesium Homeostasis Is Cidal in Mycobacterium tuberculosis

  摘要：

  结核分枝杆菌的镁平衡机制 结核分枝杆菌 的镁平衡机制知之甚少。在这里，我们描述了一种嘧啶三酮酰胺支架的特性，这种支架通过直接与 CorA Mg 2+ /Co 2+ 转运体。CorA 的一些结构域发生了突变，而这些结构域被认为是在 Mg 2+ 离子时调节孔开放的结构域发生突变，从而产生了对这种支架的抗性。

  DOI：

  10.1128/aac.01006-19

文献信息

• Barbituric acid derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04753940A1

  公开（公告）日：1988-06-28

  The invention relates to novel phenylcarbamoylbarbituric acid derivatives of the general formula ##STR1## wherein R.sub.1 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.3 alkoxy, allyl or C.sub.3 -C.sub.6 cycloalkyl, R.sub.2 is C.sub.1 -C.sub.4 alkyl or allyl, R.sub.3 is an unsubstituted or substituted heteroaromatic 6-membered ring which contains 2 or 3 nitrogen atoms, or is an unsubstituted or substituted heteroaromatic 6-membered ring which is fused to a benzene ring and which contains 1 to 3 nitrogen atoms, R.sub.4 and R.sub.5 are each independently of the other hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy or C.sub.1 -C.sub.3 haloalkyl and X is an oxygen or sulfur atom, and to the tautomers and salts thereof. These compounds may be used for controlling helminths which are parasites of animals.

  本发明涉及一种新的苯基氨基甲基巴比妥酸衍生物，其一般式为##STR1##其中R.sub.1是C.sub.1-C.sub.4烷基，C.sub.1-C.sub.3烷氧基，烯丙基或C.sub.3-C.sub.6环烷基，R.sub.2是C.sub.1-C.sub.4烷基或烯丙基，R.sub.3是未取代或取代的含有2或3个氮原子的杂芳6元环，或未取代或取代的与苯环融合的含有1至3个氮原子的杂芳6元环，R.sub.4和R.sub.5各自独立地为氢、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4烷氧基或C.sub.1-C.sub.3卤代烷基，X为氧或硫原子，以及它们的互变异构体和盐。这些化合物可用于控制寄生于动物的蠕虫。
• 5-(pyridyloxy- or pyridylthio-phenyl)carbamoyl barbituric acid
  申请人：Ciba-Geigy Corporation

  公开号：US04748178A1

  公开（公告）日：1988-05-31

  Novel phenylcarbamoylbarbituric acid derivatives of the general formula I ##STR1## and tautomeric forms and salts thereof in which R.sub.1 and R.sub.2 independently of one another are C.sub.1 -C.sub.5 -alkyl, C.sub.1 -C.sub.3 -alkoxy, C.sub.3 -C.sub.6 -cycloalkyl, allyl or phenyl; R.sub.3 is substituted or unsubstituted pyridyl as herein defined; and X is oxygen or sulfur; they possess anthelmintic activity. The active substances can be employed in conjunction with suitable carriers and further adjuncts for controlling zooparasitic helminths.

  通用式I的新型苯基氨基甲酰巴比妥酸衍生物以及其互变异构体和盐，其中R.sub.1和R.sub.2各自独立地为C.sub.1-C.sub.5烷基，C.sub.1-C.sub.3烷氧基，C.sub.3-C.sub.6环烷基，烯丙基或苯基；R.sub.3为取代或未取代的吡啶基，如本文所定义的；X为氧或硫；它们具有驱虫活性。这些活性物质可以与适当的载体和其他辅助剂一起用于控制动物寄生虫蠕虫。
• 5-(azolyloxyphenylcarbamoyl)barbituric acid derivatives as anthelmintics
  申请人：Ciba-Geigy Corporation

  公开号：US04762830A1

  公开（公告）日：1988-08-09

  The invention relates to novel 5-(azolyloxyphenylcarbamoyl)barbituric acid derivatives of the general formula I ##STR1## wherein X is oxygen or sulfur; R.sub.1 is C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 alkoxy, C.sub.3 -C.sub.6 cycloalkyl or allyl; R.sub.2 is C.sub.1 -C.sub.6 alkyl or allyl; R.sub.3 is an unsubstituted or substituted five-membered azole ring which is bound through carbon and is selected from the group consisting of benzimadazole, benzoxazole, benzothiazole, imidazole, oxazole, thiazole, oxadiazole, thiadiazole and triazole; and R.sub.4 and R.sub.5 are each independently of the other hydrogen, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 haloalkyl, C.sub.1 -C.sub.6 alkoxy or C.sub.1 -C.sub.6 haloalkoxy; and to the tautomers and salts thereof, as anthelmintic compounds. Together with suitable carriers and further assistants, these compounds may be used in particular for controlling helminths which are parasites of animals.

  本发明涉及一种新型的5-(芳基氧基苯基)氨基丁二酸衍生物，其一般式为I，其中X为氧或硫；R1为C1-C6烷基、C1-C6烷氧基、C3-C6环烷基或烯丙基；R2为C1-C6烷基或烯丙基；R3为未取代或取代的碳链连接的五元杂环芳烃，选自苯并咪唑、苯并噁唑、苯并噻唑、咪唑、噁唑、噻唑、氧化噻二唑、硫代噻二唑和三唑；R4和R5各自独立地为氢、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基或C1-C6卤代烷氧基；以及它们的互变异构体和盐，作为驱虫化合物。这些化合物可以与适当的载体和辅助剂一起使用，特别用于控制动物寄生虫。
• Pyrimidinetrione derivatives, agents containing them and their use as
  申请人：Hoechst Aktiengesellschaft

  公开号：US05162327A1

  公开（公告）日：1992-11-10

  Pyrimidinetrione derivatives, processes for their preparation, agents containing them and their use as agents for combating pests. Compounds of the formula I, tautomeric forms thereof of the formula Ia, stereoisomers thereof and the mixtures of these forms ##STR1## wherein R.sup.1 and R.sup.2 denote unsubstituted or substituted alkyl, alkenyl, alkynyl; alkoxy, alkylsulfonyl, alkylcarbonyl or cyano or optionally substituted phenyl, phenylsulfonyl or phenylcarbonyl, R.sup.3 denotes hydrogen, alkyl or optionally substituted phenyl, R.sup.4 denote H, OH, unsubstituted or substituted alkyl, alkenyl, alkynyl, phenylsulfonyl, phenylcarbonyl, phenylcarbamoyl or phenyl; alkylsulfonyl or alkylcarbonyl, which can be halogenated, alkylcarbamoyl or cyano, R.sup.5 and R.sup.6 denote halogen, alkoxy, alkylcarbonyl, alkoxycarbonyl, alkylsulfenyl, -sulfinyl or -sulfonyl, haloalkoxy, alkylamino, cyano, sulfo or nitro, A,X,Z and L denote oxygen, sulfur, sulfinyl, sulfonyl or nitrogen, which can be substituted by alkyl, or L denotes a double bond, M,D,E,Q and G denote carbon or nitrogen, V denotes carbon or substituted phosphorus, W denotes alkylene or haloalkylene, both of which can be substituted, Y.sup.1 denotes H, halogen, alkyl, alkylamino or hydroxyl, Y.sup.2 denotes oxygen, sulfur or nitrogen which is optionally substituted by alkyl and n amd m denote 0-4, and salts thereof which can be employed in agriculture or are physiologically tolerated, have advantageous actions against a broad spectrum or animal pests in agriculture and animal breeding.

  吡咯啉三酮衍生物，其制备方法，含有它们的制剂以及它们作为杀虫剂的用途。化合物的式I，式Ia的互变异构体，其立体异构体和这些形式的混合物 ##STR1## 其中，R.sup.1和R.sup.2表示未取代或取代的烷基，烯基，炔基；烷氧基，烷基磺酰基，烷基羰基或氰或可选择取代的苯基，苯基磺酰基或苯基羰基，R.sup.3表示氢，烷基或可选择取代的苯基，R.sup.4表示H，OH，未取代或取代的烷基，烯基，炔基，苯基磺酰基，苯基羰基，苯基氨基甲酰或苯基；烷基磺酰基或烷基羰基，可以卤代，烷基氨基甲酰或氰，R.sup.5和R.sup.6表示卤素，烷氧基，烷基羰基，烷氧羰基，烷基磺酰基，-亚磺酰基或-磺酰基，卤代烷氧基，烷基氨基，氰，磺酰基或硝基，A，X，Z和L表示氧，硫，亚磺酰，磺酰或氮，可以通过烷基取代，或L表示双键，M，D，E，Q和G表示碳或氮，V表示碳或取代的磷，W表示可以取代的烷基或卤代烷基，Y.sup.1表示H，卤素，烷基，烷基氨基或羟基，Y.sup.2表示氧，硫或氮，可以选择地通过烷基取代，n和m表示0-4，并且其盐可以在农业中使用或在生理上耐受，对农业和动物饲养中的广谱动物害虫具有有利作用。
• Mothproofing and beetleproofing composition: 5-(pyridyloxy- or
  申请人：Ciba-Geiby Corporation

  公开号：US04602912A1

  公开（公告）日：1986-07-29

  The invention relates to a composition for protecting keratinous material, in particular woollen textiles, from attack by pests that feed on keratin, in particular moth and beetle larvae, which composition contains, as active ingredient combination, a specifically substituted 5-(pyridyloxyphenylcarbamoyl)barbituric acid or a salt thereof and a synthetic pyrethroid, as well as to a process comprising the use of this active ingredient combination for providing said material with a protective finish against attack by pests that feed on keratin.

  本发明涉及一种用于保护角蛋白质材料，特别是羊毛纺织品，免受以角蛋白为食的害虫攻击，特别是蛀虫和甲虫幼虫的组合活性成分。该组合活性成分包含一种特定取代的5-(吡啶氧基苯基)脲基巴比妥酸或其盐和一种合成除虫菊酯。本发明还涉及一种使用该活性成分组合为该材料提供保护性涂层以免受以角蛋白为食的害虫攻击的方法。