methyl 2-amino-5-(N-morpholinyl)benzoate | 134050-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: methyl 2-amino-5-(N-morpholinyl)benzoate
• 英文别名: methyl 2-amino-5-morpholinobenzoate；methyl 2-amino-5-(morpholin-4-yl) benzoate；Methyl 2-amino-5-morpholin-4-ylbenzoate
• CAS: 134050-76-3
• 化学式: C₁₂H₁₆N₂O₃
• mdl: MFCD11099382
• 分子量: 236.271
• InChiKey: QUFKDPNHPAIWCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  methyl 2-amino-5-(N-morpholinyl)benzoate 在 盐酸 、 sodium azide 、 sodium acetate 、 sodium nitrite 作用下， 生成 methyl 5-(N-morpholinyl)-2-azidobenzoate
  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：

  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

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中的替代喹唑酮和吡啶嘧啶是抗肾素-血管紧张素系统（RAS）相关疾病的药物，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的取代喹唑酮和吡啶嘧啶是一种抗肾素-血管紧张素系统（RAS）的II型受体拮抗剂，可用于治疗与高血压、充血性心力衰竭、眼压增高和某些中枢神经系统疾病相关的疾病。
• 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。
• Palladium-catalyzed denitrogenation/vinylation of benzotriazinones with vinylene carbonate
  作者：Jiang Nan、Qiong Huang、Xinran Men、Shuai Yang、Jing Wang、Yangmin Ma

  DOI：10.1039/d4cc00059e

  日期：——

  Herein, a novel Pd-catalyzed denitrogenation/vinylation of benzotriazinones using vinylene carbonate as the vinylation reagent is reported. This transformation demonstrates an unprecedented skeletal editing approach, effectively converting NN to CC fragments in situ and synthesizing a collection of isoquinolinones with broad-spectrum functional group tolerance. Moreover, the quite concise reaction

  在此，报道了一种使用碳酸亚乙烯酯作为乙烯基化试剂的新型钯催化苯并三嗪酮脱氮/乙烯基化反应。这种转变展示了前所未有的骨骼编辑方法，有效地将 N N 至 C C原位片段并合成一系列具有广谱官能团耐受性的异喹啉酮。此外，相当简洁的反应体系和生物活性分子的后期修饰全面强调了该方案的实际潜力。
• US5202322A
  申请人：——

  公开号：US5202322A

  公开（公告）日：1993-04-13