5-甲基-4-咪唑羧酸甲酯 | 78892-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-甲基-4-咪唑羧酸甲酯
• 中文别名: 5-甲基-4-咪唑甲酸甲酯
• 英文名称: methyl 5-methyl-imidazole-4-carboxylate
• 英文别名: 5-methyl-4-imidazole carboxylic acid methyl ester；methyl 5-methyl-4-imidazolecarboxylate；Methyl 5-methyl-1H-imidazole-4-carboxylate
• CAS: 78892-68-9
• 化学式: C₆H₈N₂O₂
• mdl: MFCD06203737
• 分子量: 140.142
• InChiKey: IDGRFJQRPSMHHP-UHFFFAOYSA-N

物化性质

• 沸点：
  317.2±22.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  5-甲基-4-咪唑羧酸甲酯 在 盐酸 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 N'-异亚丙基-4-甲基-1H-咪唑-5-甲酰肼
  参考文献：
  名称：

  Design and Synthesis of Novel Potent Antinociceptive Agents: Methyl-imidazolyl N-Acylhydrazone Derivatives

  摘要：

  This paper describes recent results of design, synthesis and pharmacological evaluation of new N-heterocyclic functionalized N-acylhydrazone compounds, belonging to the 2-methyl-imidazolyl-3-acylhydrazone class (4a-e). These compounds were planned by applying the molecular simplification strategy to propose the structural modifications on the previously described functionalized imidazo[1,2-a]pyridine 3-acylhydrazone series (2), which presented an important analgesic profile. This new series (4) was synthesized in order to investigate the possible pharmacophoric contribution of the N-heteroaromatic ring and N-acylhydrazone moieties to the analgesic activity. Compounds 4a-b are the most potent antinociceptive agents from this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00152-8
• 作为产物：
  描述：

  乙酰乙酸甲酯 在 盐酸 、 ammonium hydroxide 、 sodium nitrite 、 paraformaldehyde 作用下， 以 水 、 溶剂黄146 为溶剂， 以52%的产率得到5-甲基-4-咪唑羧酸甲酯
  参考文献：
  名称：

  Process for preparing 5-methyl-4-imidazolecarboxylic acid esters

  摘要：

  一种从乙酰乙酸酯制备5-甲基-4-咪唑羧酸酯的工艺。该工艺的产物可作为制备西米替丁的中间体。

  公开号：

  US04328349A1

文献信息

• Antihypertensive substituted imidazole derivatives
  申请人：Farmos Group, Ltd.

  公开号：US04544664A1

  公开（公告）日：1985-10-01

  The invention provides novel compounds of the formula: ##STR1## wherein the various substituents are defined herein below. Processes for the preparation of these compounds are described, as are novel pharmaceutical compositions comprising at least one of the compounds of their salts. The compounds and their non-toxic salts exhibit valuable pharmacological activity and are useful in the treatment of mammals, especially as antihypertensive agents. Furthermore, some of the compounds have proved to possess antithrombotic and diuretic activity. Antimycotic and antifungal properties have also been found.

  这项发明提供了以下结构的新化合物：##STR1## 其中各种取代基在此下文中定义。描述了制备这些化合物的方法，以及包含至少一种该化合物或其盐的新型药物组合物。这些化合物及其无毒盐表现出有价值的药理活性，并可用于治疗哺乳动物，特别是作为降压药剂。此外，一些化合物已被证明具有抗血栓和利尿活性。还发现了抗真菌和抗霉菌特性。
• 4-Benzyl- and 4-benzoyl-substituted imidazole derivatives and use as
  申请人：Farmos-Yhtyma OY (Farmos Group Ltd.)

  公开号：US04443466A1

  公开（公告）日：1984-04-17

  The invention provides compounds of the formula: ##STR1## wherein R.sub.1, R.sub.2 and R.sub.3, which can be the same or different, are each hydrogen, chloro, bromo, fluoro, methyl, ethyl, methoxy, amino, hydroxy or nitro; R.sub.4 is hydrogen or alkyl of 1 to 7 carbon atoms; --X-- is ##STR2## R.sub.5 is hydrogen, hydroxy or --OR.sub.6 ; and R.sub.6 is alkyl of 1 to 7 carbon atoms or aryl of 6 to 10 carbon atoms; and their non-toxic pharmaceutically acceptable acid addition salts and mixtures thereof. Processes for the preparation and use of the subject compounds are described, as are novel pharmaceutical compositions comprising at least one of the subject compounds or their salts. The compounds and their non-toxic salts exhibit valuable pharmacological activity and are useful in the treatment of mammals, e.g., as anti-ulcer or anti-hypertensive agents. Furthermore, they are useful as diuretic, sedative, analgesic, anti-inflammatory and tranquilizing agents.

  该发明提供了以下结构的化合物：其中R.sub.1、R.sub.2和R.sub.3可以相同也可以不同，分别是氢、氯、溴、氟、甲基、乙基、甲氧基、氨基、羟基或硝基；R.sub.4是氢或1至7个碳原子的烷基；--X--是；R.sub.5是氢、羟基或--OR.sub.6；R.sub.6是1至7个碳原子的烷基或6至10个碳原子的芳基；以及它们的无毒药学上可接受的酸加盐和混合物。描述了制备和使用这些化合物的方法，以及包含至少一种这些化合物或其盐的新型药物组合物。这些化合物及其无毒盐表现出有价值的药理活性，并在治疗哺乳动物方面具有用途，例如作为抗溃疡或抗高血压剂。此外，它们还可作为利尿剂、镇静剂、镇痛剂、抗炎剂和镇定剂。
• Imidazole derivatives as factor Xa inhibitors
  申请人：AVENTIS PHARMA DEUTSCHLAND GMBH

  公开号：US20040171604A1

  公开（公告）日：2004-09-02

  This invention is directed to the compound of formula (I) which is useful for inhibiting the activity of Factor Xa. The present invention is also directed to compositions containing said compounds, processes for their preparation, their use, such as in inhibiting the formation of thrombin or for therapeutically or prophylactically treating a patient suffering from, or subject to, or associated with a disease state associated with a cardiovascular disorder.

  本发明涉及一种化合物(I)，其可用于抑制Xa因子的活性。本发明还涉及含有该化合物的组合物、其制备过程、其用途，例如抑制凝血酶形成或用于治疗或预防患有与心血管疾病相关联的疾病状态的患者。
• Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds
  申请人：Cai R. Zhenhong

  公开号：US20080076738A1

  公开（公告）日：2008-03-27

  Novel HIV integrase inhibitor compounds having at least one phosphonate group, protected intermediates thereof, and methods for inhibition of HIV-integrase are disclosed.

  本发明公开了至少具有一个膦酸酯基团的新型HIV整合酶抑制剂化合物、其受保护的中间体以及用于抑制HIV整合酶的方法。
• 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same
  申请人：Farmos-Yhtyma Oy

  公开号：EP0024829A1

  公开（公告）日：1981-03-11

  The invention provides compounds of the formula: wherein R1, R2 and R3, which can be the same or different, are each selected from hydrogen, chloro, bromo, fluoro, methyl, ethyl, methoxy, amino, hydroxy and nitro; R4 is hydrogen or alkyl of 1 to 7 carbon atoms; -X- is wherein R5 is hydrogen, hydroxy or-OR6, and R6 is alkyl of 1 to 7 carbon atoms or aryl of 6 to 10 carbon atoms; and their non-toxic pharmaceutically acceptable acid addition salts and mixtures thereof. Processes for the preparation and use of the subject compounds are described, as are novel pharmaceutical compositions comprising at least one of the subject compounds or their salts. The compounds and their non-toxic salts exhibit valuable pharmacological activity and are useful in the treatment of mammals, particularly as anti-hypertensive or anti-ulcer agents. Furthermore, they are useful as diuretic, sedative, analgesic, anti-inflammatory and tranquilizing agents.

  本发明提供了如下式的化合物： 其中R1、R2和R3可以相同或不同，它们各自选自氢、氯、溴、氟、甲基、乙基、甲氧基、氨基、羟基和硝基；R4是氢或1至7个碳原子的烷基；-X-是 其中 R5 是氢、羟基或-OR6，R6 是 1 至 7 个碳原子的烷基或 6 至 10 个碳原子的芳基；以及它们的无毒药学上可接受的酸加成盐及其混合物。描述了制备和使用上述化合物的工艺，以及包含至少一种上述化合物或其盐的新型药物组合物。这些化合物及其无毒盐具有宝贵的药理活性，可用于治疗哺乳动物，特别是作为抗高血压或抗溃疡药物。此外，它们还可用作利尿剂、镇静剂、镇痛剂、消炎剂和镇定剂。