5-吗啉-2-硝基苯羧酸甲酯 | 134050-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 5-吗啉-2-硝基苯羧酸甲酯
• 英文名称: methyl 5-(N-morpholinyl)-2-nitrobenzoate
• 英文别名: methyl 5-(morpholin-4-yl)-2-nitrobenzoate；Methyl 5-morpholino-2-nitrobenzoate；methyl 5-morpholin-4-yl-2-nitrobenzoate
• CAS: 134050-75-2
• 化学式: C₁₂H₁₄N₂O₅
• 分子量: 266.254
• InChiKey: YQDJPZPKFJXQMS-UHFFFAOYSA-N

物化性质

• 熔点：
  129-131°

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-吗啉-2-硝基苯羧酸甲酯 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以58%的产率得到methyl 2-amino-5-(N-morpholinyl)benzoate
  参考文献：
  名称：

  3H-azepines and related systems. Part 4. Preparation of 3H-azepin-2-ones and 6H-azepino[2,1-b]quinazolin-12-ones by photo-induced ring expansions of aryl azides

  摘要：

  Photolysis of a series of p-substituted phenyl azides (p-X-C6H4N3; X = CO2Me, CO2Et, CN, CF3, SO2NH2, CO2CHPh2, COMe, CHO, and NO2) in 1:1 (nu/nu) THF-water solution produces, in the majority of cases, a 5-substituted-3H-azepine-2-one. In a like manner, 3H-azepin-2-one-3-carboxylates can be prepared from 5-substituted-2-azidobenzoates, providing the 5-substituent is electron-withdrawing.3H-Azepin-2-one mono- and di-carboxylic acids, the former in admixture with decarboxylated material, and 6H-azepino[2,1-b]quinazolin-12-ones, are obtained by irradiation of 2-azidobenzoic acid and of 5-azidoisophthalic acid, respectively. The mode of formation of the azepino-quinazolinones is discussed.

  DOI：

  10.1016/s0040-4020(01)96138-1
• 作为产物：
  描述：

  吗啉 、 5-氯-2-硝基苯甲酸甲酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以94%的产率得到5-吗啉-2-硝基苯羧酸甲酯
  参考文献：
  名称：

  3H-azepines and related systems. Part 4. Preparation of 3H-azepin-2-ones and 6H-azepino[2,1-b]quinazolin-12-ones by photo-induced ring expansions of aryl azides

  摘要：

  Photolysis of a series of p-substituted phenyl azides (p-X-C6H4N3; X = CO2Me, CO2Et, CN, CF3, SO2NH2, CO2CHPh2, COMe, CHO, and NO2) in 1:1 (nu/nu) THF-water solution produces, in the majority of cases, a 5-substituted-3H-azepine-2-one. In a like manner, 3H-azepin-2-one-3-carboxylates can be prepared from 5-substituted-2-azidobenzoates, providing the 5-substituent is electron-withdrawing.3H-Azepin-2-one mono- and di-carboxylic acids, the former in admixture with decarboxylated material, and 6H-azepino[2,1-b]quinazolin-12-ones, are obtained by irradiation of 2-azidobenzoic acid and of 5-azidoisophthalic acid, respectively. The mode of formation of the azepino-quinazolinones is discussed.

  DOI：

  10.1016/s0040-4020(01)96138-1

文献信息

• Quinazolinone and pyridopyrimidine a-II antagonists
  申请人：Merck & Co., Inc.

  公开号：US05202322A1

  公开（公告）日：1993-04-13

  Substituted quinazolinones and pyridopyrimidines of structural formula 1 ##STR1## are angiotensin II antagonists useful in the treatment of disorders related to the reninangiotensin system (RAS) such as hypertension, congestive heart failure, ocular hypertension and certain CNS disorders.

  结构式1中的取代喹唑啉酮和吡啶并嘧啶是血管紧张素II拮抗剂，可用于治疗与肾素-血管紧张素系统（RAS）相关的疾病，如高血压，充血性心力衰竭，眼压增高和某些中枢神经系统疾病。
• Quinazolinones and pyridopyrimidinones
  申请人：Merck & Co., Inc.

  公开号：US05256667A1

  公开（公告）日：1993-10-26

  Substituted quinazolinones and pyridopyrimidines of structural formula I ##STR1## are angiotensin II antagonists useful in the treatment of disorders related to the renin-angiotensin system (RAS) such as hypertension, congestive heart failure, ocular hypertension and certain CNS disorders.

  结构式I所示的取代喹唑啉和吡啶并嘧啶是血管紧张素II拮抗剂，可用于治疗与肾素-血管紧张素系统（RAS）相关的疾病，如高血压，充血性心力衰竭，眼压和某些中枢神经系统疾病。
• Quinazolinones
  申请人：Merck & Co., Inc.

  公开号：US05308846A1

  公开（公告）日：1994-05-03

  Substituted quinazolinones and pyridopyrimidines of structural formula 1 ##STR1## are angiotensin II antagonists useful in the treatment of disorders related to the renin-angiotensin system (RAS) such as hypertension, congestive heart failure, ocular hypertension and certain CNS disorders.

  结构式1中的替代喹唑啉和吡啶并嘧啶是血管紧张素II拮抗剂，在治疗与肾素-血管紧张素系统（RAS）相关的疾病，如高血压，充血性心力衰竭，眼压和某些中枢神经系统疾病方面有用。
• Beta-Aminoacid-Derivatives As Factor Xa Inhibitors
  申请人：Urmann Matthias

  公开号：US20070179122A1

  公开（公告）日：2007-08-02

  The present invention relates to compounds of the formula I, in which R 0 ; R 1 ; R 2 ; R 3 ; R 4 ; R 5 , R, Q; V, G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboemboic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R0；R1；R2；R3；R4；R5，R，Q；V，G和M具有所述权利要求中指示的含义。公式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。它们是血凝酶酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa的不良活性或预防其抑制因子Xa和/或因子VIIa的治疗或预防。此外，本发明还涉及制备公式I化合物的过程，它们的用途，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• Quinazolinones and pyridopyrimidinones useful as angiotensin II antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0534706A1

  公开（公告）日：1993-03-31

  Substituted quinazolinones and pyridopyrimidines of structural formula 1 are angiotensin II antagonists useful in the treatment of disorders related to the renin-angiotensin system (RAS) such as hypertension, congestive heart failure, ocular hypertension and certain CNS disorders.

  结构式 1 的取代喹唑啉酮类和吡啶嘧啶类化合物 是血管紧张素 II 拮抗剂，可用于治疗与肾素-血管紧张素系统（RAS）有关的疾病，如高血压、充血性心力衰竭、眼压升高和某些中枢神经系统疾病。