(1,3-二氧代丙烷-1,3-二基)双氨基甲酸二乙酯 | 49754-15-6

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (1,3-二氧代丙烷-1,3-二基)双氨基甲酸二乙酯
• 中文别名: 二乙氧羰基丙二酰胺
• 英文名称: malonyldiurethane
• 英文别名: N,N'-(ethoxycarbonyl)malonamide；Diethyl malonyldicarbamate；ethyl N-[3-(ethoxycarbonylamino)-3-oxopropanoyl]carbamate
• CAS: 49754-15-6
• 化学式: C₉H₁₄N₂O₆
• 分子量: 246.22
• InChiKey: DPOPJTBOMCSYAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  124 °C
• 密度：
  1.256±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2924199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：2-8°C，干燥且密封。

反应信息

• 作为反应物：
  描述：

  (1,3-二氧代丙烷-1,3-二基)双氨基甲酸二乙酯 在 氯仿 、 溴 作用下， 生成 N,N'-bis-ethoxycarbonyl-2-bromo-malonic acid diamide
  参考文献：
  名称：

  Backes; West; Whiteley, Journal of the Chemical Society, 1921, vol. 119, p. 360

  摘要：

  DOI：
• 作为产物：
  描述：

  丙二酸 、 氨基甲酸乙酯 以45%的产率得到
  参考文献：
  名称：

  ALONSO, R.;SHAW, G.;WRIGHT, D., J. CHEM. SOC. PERKIN TRANS., 1984, N 12, 2795-2799

  摘要：

  DOI：

文献信息

• Herbicical 2-[(4-heterocyclic-phenoxymethyl)phenoxy]-alkanoates
  申请人：FMC Corporation

  公开号：US05262390A1

  公开（公告）日：1993-11-16

  Herbicidal compounds, compositions containing them, and a method for controlling weeds by application of the compositions are disclosed. The herbicidal compounds are 2-[(4-heterocyclic(phenoxymethyl)phenoxy]alkanoates of the formula ##STR1## in which A is a derivative of an alkanoate bonded to the phenoxy oxygen at the alpha carbon, and Q is 4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl, 3,4,5,6-tetrahydrophthalimid-1-yl, 1-(1-methylethyl)imidazolidin-2,4-dion-3-yl, 1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-on-1-yl, 3-chloro-4,5,6,7-tetrahydroindazol-2-yl, 4-methyl-1,2,4-triazine-3,5-dion-2-yl, 8-thia-1,6-diazabicyclo[4.3.0]nonane-7-on-9-ylimino, or 1-methyl-6-trifluoromethyl-2,4-pyrimidinedione-3-yl; X is hydrogen, fluorine, or chlorine; Y is hydrogen; W is oxygen or sulfur; Z is hydrogen, fluorine, chlorine, bromine, lower alkyl, or methoxy; Z' is hydrogen, fluorine, or chlorine; and the group AO-- may be in the 2, 3, or 4-position of the phenyl ring.

  除草化合物、含有这些化合物的组合物以及通过应用这些组合物来控制杂草的方法被披露。这些除草化合物是具有以下式子的2-[(4-杂环(苯氧甲基)苯氧基]烷酸盐：其中A是与苯氧基氧原子在α碳上键合的烷酸盐衍生物，Q是4-二氟甲基-4,5-二氢-3-甲基-1,2,4-三唑-5(1H)-酮-1-基，3,4,5,6-四氢邻苯二甲酰亚胺-1-基，1-(1-甲基乙基)咪唑啉-2,4-二酮-3-基，1,4-二氢-4-(3-氟丙基)-5H-四唑-5-酮-1-基，3-氯-4,5,6,7-四氢吲哚-2-基，4-甲基-1,2,4-三嗪-3,5-二酮-2-基，8-硫代-1,6-二氮杂双环[4.3.0]壬烷-7-酮-9-亚基，或1-甲基-6-三氟甲基-2,4-嘧啶二酮-3-基；X是氢、氟或氯；Y是氢；W是氧或硫；Z是氢、氟、氯、溴、低碳烷基或甲氧基；Z'是氢、氟或氯；而AO--基团可以位于苯环的2、3或4位。
• Herbicidal 2-[(4-heterocyclic-phenoxymethyl)phenoxy]-alkanoates
  申请人：FMC Corporation

  公开号：US05344812A1

  公开（公告）日：1994-09-06

  Herbicidal compounds, compositions containing them, and a method for controlling weeds by application of the compositions are disclosed. The herbicidal compounds are 2-[(4-heterocyclic-phenoxymethyl)phenoxy]alkanoates of the formula ##STR1## in which A is a derivative of an alkanoate bonded to the phenoxy oxygen at the alpha carbon, and Q is 4-difluoromethyl-4,5-dihydro-3-methyl-l,2,4-triazol-5(1H)-on-1-yl, 3,4,5,6-tetrahydrophthalimid-1-yl, 1-(1-methylethyl)imidazolidin-2,4-dion-3-yl, 1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-on-1-yl, 3-chloro-4,5,6,7-tetrahydroindazol-2-yl, 4-methyl-l,2,4-triazine-3,5-dion-2-yl, 8-thia-1,6-diazabicyclo[4.3.0]-nonane-7-on-9-ylimino, or 1-methyl-6-trifluoromethyl-2,4-pyrimidinedione-3-yl; X is hydrogen, methyl, fluorine, or chlorine; Y is hydrogen; W is oxygen or sulfur; Z is hydrogen, fluorine, chlorine, bromine, lower alkyl, or methoxy; Z' is hydrogen, fluorine, or chlorine; and the group AO-- may be in the 2, 3, or 4-position of the phenyl ring.

  除草化合物、含有这些化合物的组合物以及通过应用这些组合物来控制杂草的方法被披露。这些除草化合物是具有以下式子的2-[(4-杂环-苯氧甲基)苯氧基]烷酸酯：##STR1## 其中A是与苯氧氧原子在α碳上结合的烷酸酯的衍生物，Q是4-二氟甲基-4,5-二氢-3-甲基-1,2,4-三唑-5(1H)-酮-1-基，3,4,5,6-四氢邻苯二甲酰亚胺-1-基，1-(1-甲基乙基)咪唑啉-2,4-二酮-3-基，1,4-二氢-4-(3-氟丙基)-5H-四唑-5-酮-1-基，3-氯-4,5,6,7-四氢吲哚-2-基，4-甲基-1,2,4-三嗪-3,5-二酮-2-基，8-硫代-1,6-二氮杂双环[4.3.0]-壬烷-7-酮-9-亚基，或1-甲基-6-三氟甲基-2,4-嘧啶二酮-3-基；X是氢、甲基、氟或氯；Y是氢；W是氧或硫；Z是氢、氟、氯、溴、低碳基或甲氧基；Z'是氢、氟或氯；以及AO--基团可能位于苯环的2、3或4位。
• Herbicidal 2-aryl-1,2,4-triazine-3,5(2H,4H)-diones and sulfur analogs
  申请人：FMC Corporation

  公开号：US04906286A1

  公开（公告）日：1990-03-06

  Herbicidal utility for 2-aryl-1,2,4-triazine-3,5(2H,4H)-diones and sulfur analogs is disclosed and exemplified. Many of the disclosed compounds are novel. Methods for preparing the herbicidal compounds and intermediates therefor are also disclosed.

  本文披露并且举例说明了2-芳基-1,2,4-三唑-3,5(2H,4H)-二酮及其硫类似物的除草用途。其中许多披露的化合物是新颖的。同时还披露了制备这些除草化合物及其中间体的方法。
• Anticoccidial derivatives of 6-azauracil. 5. Potentiation by benzophenone side chains
  作者：Ronnie D. Carroll、Max W. Miller、Banavara L. Mylari、Larry R. Chappel、Harold L. Howes、Martin J. Lynch、John E. Lynch、Shyam K. Gupta、Jay J. Rash、Richard C. Koch

  DOI：10.1021/jm00355a019

  日期：1983.1

  Attachment of p-benzophenone side chains at N1 was found to be one of the most effective modifications for enhancing the potency of 6-azauracil against a broad spectrum of coccidia in chickens. Compound 20 was about 1000-fold more potent than 6-azauracil. Structure-activity relationships paralleled those found in a previously reported series of related analogues containing diphenyl sulfide and sulfone

  发现对二苯甲酮侧链在N1处的连接是增强6-氮杂尿嘧啶对鸡广谱球菌的效力的最有效修饰之一。化合物20的效力是6-氮杂嘧啶的约1000倍。结构活性关系与先前报道的一系列含有二苯硫醚和砜侧链的类似物相似。药物代谢研究表明，酮会迅速还原为甲醇，后者是体内常见的物质。
• Benzamide, heteroarylamide and reverse amides
  申请人：Pfizer Inc.

  公开号：US20030186981A1

  公开（公告）日：2003-10-02

  The present invention relates to novel to P2X 7 inhibitors of formula I 1 and to processes for their preparation, intermediates useful in their preparation, pharmaceutical compositions containing them, and their use in therapy. The active compounds of the present invention are potent inhibitors of P2X 7 and as such are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明涉及一种新的P2X7抑制剂的I1式，以及其制备方法、制备中间体、含有它们的药物组合物，以及它们在治疗中的应用。本发明的活性化合物是P2X7的有效抑制剂，因此在治疗炎症、骨关节炎、类风湿关节炎、癌症、中风或心脏病发作中的再灌注或缺血、自身免疫疾病和其他疾病中具有用途。