ethyl 4'-nitro-3'-(trifluoromethyl)oxanilate | 54166-83-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 4'-nitro-3'-(trifluoromethyl)oxanilate
• 英文别名: ethyl 4'nitro-3'-(trifluoromethyl) oxanilate；4'-Nitro-3'-(trifluormethyl)-oxanilsaeure-ethylester；ethyl 2-[4-nitro-3-(trifluoromethyl)anilino]-2-oxoacetate
• CAS: 54166-83-5
• 化学式: C₁₁H₉F₃N₂O₅
• 分子量: 306.198
• InChiKey: VSRIIZOEPRQGNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-氨基-2-硝基三氟甲苯 、 草酰氯单乙酯 在 吡啶 作用下， 生成 ethyl 4'-nitro-3'-(trifluoromethyl)oxanilate
  参考文献：
  名称：

  草酸，一系列口服活性抗过敏药。

  摘要：

  制备了大量的草酸苯甲酸酯和N-杂芳基草酰胺酸酯，并通过大鼠被动皮肤过敏反应（PCA）测试发现具有抗过敏活性。许多草酰苯甲酸酯具有口服活性，最活泼的物种具有芳基2'-氨基甲酰基和3'-甲氧基。酯从草酰胺酯部分水解会导致口服活性下降。

  DOI：

  10.1021/jm00243a014

文献信息

• Oxamic acid derivatives
  申请人：American Home Products Corporation

  公开号：US04154961A1

  公开（公告）日：1979-05-15

  Anti-allergic agents of aromatic oxamic acid derivation present the following formula: ##STR1## in which A is a member selected from the group consisting of .alpha.-naphthyl, .beta.-naphthyl, phenyl, 2,6-di-chlorophenyl, and substituted phenyl moieties containing from one to three substituents in any of the 2,3,4 and 5 positions of the phenyl ring, independently selected from the group consisting of lower alkyl, lower alkylthio, lower alkylsulfinyl, lower alkoxy, hydroxy (lower)alkoxy, 2-(oxalyloxy) ethoxy, benzyloxy, N-mono- and di-lower alkylamino(lower)alkoxy, halo, sulfamyl, polyhalo(lower)alkyl, carbamyl, N-lower alkylcarbamyl, nitro, mono and di lower alkylamino, carboxy, lower alkylcarbonyl, carb(lower)alkoxy, phenoxy(lower)alkoxy, and oxalamidophenoxy radicals; And pharmaceutically acceptable salts thereof.

  芳香族羧酸衍生物的抗过敏药物具有以下化学式：##STR1## 其中 A 是从以下组成的成员中选择的：α-萘基、β-萘基、苯基、2,6-二氯苯基和含有1至3个取代基的苯基基团，这些取代基可以独立地选择自以下组成的取代基：低烷基、低硫代烷基、低烷基磺基、低烷氧基、羟基（低）烷氧基、2-(草酰氧基)乙氧基、苄氧基、N-单-和双-低烷基氨基（低）烷氧基、卤素、磺酰胺基、多卤素（低）烷基、氨基甲酰基、N-低烷基氨基甲酰基、硝基、单和双低烷基氨基、羧基、低烷基羰基、氨基（低）羧基、苯氧基（低）烷氧基和草酰胺基苯氧基基团；以及其药用可接受的盐。
• Pyridyl oxamic acid derivatives and use in the prevention of allergic
  申请人：American Home Products Corporation

  公开号：US04054661A1

  公开（公告）日：1977-10-18

  Anti-allergic agents of aromatic and heterocyclic oxamic acid derivation present the following formula: ##STR1## in which A is a member selected from the group consisting of 2-thiazolyl, 2-pyridyl, 2-pyridyl-N-oxide, 6-(lower)alkyl-2-pyridyl, 3-cyano-2-pyridyl, 3-pyridyl, 4-pyridyl, 2-pyrimidinyl, 2-pyrazinyl, .alpha.-naphthyl, .beta.naphthyl, phenyl, 2,6-dichlorophenyl, and substituted phenyl moieties containing from one to three substituents in any of the 2,3,4 and 5 positions of the phenyl ring, independently selected from the group consisting of lower alkyl, lower alkylthio, lower alkylsulfinyl, lower alkoxy, hydroxy(lower)-alkoxy, 2-(lower alkoxy oxalyloxy) ethoxy, benzyloxy, N-mono-and di-lower alkylamino(lower)-alkoxy, halo, sulfamyl, polyhalo(lower)alkyl, carbamyl, N-lower alkylcarbamyl, nitro, mono-and di-lower alkylamino, phenylazo, carboxy, lower alkylcarbonyl, cyano, carb(lower)alkoxy, phenoxy(lower)alkoxy, lower alkoxyoxalamido and lower alkoxyoxalamidophenoxy radicals; B, when taken alone, is a member selected from the group consisting of --OH, lower alkoxy, --NH.sub.2, --NHOH, cyclohexyloxy and phenoxy; and Y is a member selected from the group consisting of oxygen and when taken with B and the carbon atom to which they are attached, forms the moiety ##STR2##

  芳香族和杂环氧酰胺衍生的抗过敏剂具有以下公式：##STR1## 其中A是从2-噻唑基，2-吡啶基，2-吡啶基-N-氧化物，6-（较低）烷基-2-吡啶基，3-氰基-2-吡啶基，3-吡啶基，4-吡啶基，2-吡嘧啶基，2-吡嗪基，α-萘基，β-萘基，苯基，2,6-二氯苯基和取代苯基中选择的一种成员，所述取代苯基包含一个到三个取代基，所述取代基独立地选择自较低烷基，较低硫代烷基，较低磺代烷基，较低烷氧基，羟基（较低）-烷氧基，2-（较低烷氧基氧乙酰氧基）乙氧基，苄氧基，N-单和二-较低烷基氨基（较低）-烷氧基，卤，磺酰胺，多卤（较低）烷基，氨基甲酰，N-较低烷基氨基甲酰，硝基，单和二-较低烷基氨基，苯基偶氮，羧基，较低烷基羰基，氰基，羰基（较低）烷氧基，苯氧基（较低）烷氧基，较低烷氧基草酰胺基和较低烷氧基草酰胺基苯氧自由基；B，单独时，是从-OH，较低烷氧，-NH.sub.2，-NHOH，环己氧基和苯氧基中选择的一种成员；Y是从氧中选择的一种成员，当与B和它们连接的碳原子一起被选取时，形成如下部分：##STR2##
• Oxamic acid derivatives for the prevention of immediate type
  申请人：American Home Products Corporation

  公开号：US03966965A1

  公开（公告）日：1976-06-29

  Anti-allergic agents of ##EQU1## and heterocyclic oxamic acid derivation present the following formula: IN WHICH A is a member selected from the group consisting of 2-thiazolyl, 2-pyridyl, 2-pyridyl-N-oxide, 6-(lower)alkyl-2-pyridyl, 3-cyano-2-pyridyl, 3-pyridyl, 4-pyridyl, 2-pyrimidinyl, 2-pyrazinyl, .alpha.-naphthyl, .beta.-naphthyl, phenyl, 2,6-dichlorophenyl, and substituted phenyl moieties containing from one to three substituents in any of the 2,3,4 and 5 positions of the phenyl ring, independently selected from the group consisting of lower alkyl, lower alkylthio, lower alkylsulfinyl, lower alkoxy, hydroxy(lower)-alkoxy, 2-(lower alkoxy oxalyloxy) ethoxy, benzyloxy, N-mono-and di-lower alkylamino(lower)-alkoxy, halo, sulfamyl, polyhalo(lower)alkyl, carbamyl, N-lower alkylcarbamyl, nitro, mono- and di-lower alkylamino, phenylazo, carboxy, lower alkylcarbonyl, cyano, carb(lower)alkoxy, phenoxy(lower)alkoxy, lower alkoxyoxalamido and lower alkoxyoxalamidophenoxy radicals; B, when taken alone, is a member selected from the group consisting of -OH, lower alkoxy, --NH.sub.2, --NHOH, cyclohexyloxy and phenoxy; and Y is a member selected from the group consisting of oxygen and when taken with B and the carbon atom to which they are attached, forms the moiety ##EQU2##

  ##EQU1##的抗过敏剂和杂环氧酰胺衍生物具有以下公式：其中A是从2-噻唑基，2-吡啶基，2-吡啶-N-氧化物，6-（较低）烷基-2-吡啶基，3-氰基-2-吡啶基，3-吡啶基，4-吡啶基，2-吡嘧啶基，2-吡啶基，α-萘基，β-萘基，苯基，2,6-二氯苯基和取代苯基等组成的群中选择的成员，其中该苯环的2,3,4和5位置中的任意位置都包含从一个到三个取代基的取代基，这些取代基独立地从较低烷基，较低硫代烷基，较低磺酰基，较低烷氧基，羟基（较低）-烷氧基，2-（较低烷氧基氧代羰基）乙氧基，苄氧基，N-单和二-较低烷基氨基（较低）-烷氧基，卤素，磺酰基，多卤代（较低）烷基，氨基甲酰基，N-较低烷基氨基甲酰基，硝基，单和双-较低烷基氨基，苯基偶氮基，羧基，较低烷基羰基，氰基，羰基（较低）烷氧基，苯氧基（较低）烷氧基，较低烷氧氧代草酰胺基和较低烷氧氧代草酰胺苯氧基自由基；B，当单独取时，是从-OH，较低烷氧基，-NH.sub.2，-NHOH，环己氧基和苯氧基等组成的群中选择的成员；Y是从氧中选择的成员，当与B和它们连接的碳原子一起取时，形成上述公式。
• US3966965A
  申请人：——

  公开号：US3966965A

  公开（公告）日：1976-06-29
• US4036837A
  申请人：——

  公开号：US4036837A

  公开（公告）日：1977-07-19