N-Carbomethoxyanthranilic acid | 6268-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Carbomethoxyanthranilic acid
• 英文别名: N-methoxycarbonyl-anthranilic acid；Methylisothoat；2-Carboxy-carbanilsaeuremethylester；N-Methoxycarbonyl-anthranilsaeure；(2-Carboxy-phenyl)-carbamidsaeure-methylester；Carbanilsaeuremethylester-carbonsaeure-(2)；2-Carbomethoxyamino-benzoesaeure；N-Carbomethoxy-anthranilsaeure；Isatosaeure-exo-methylester；N-(2-carboxy-phenyl)-carbamic acid methyl ester；2-[(Methoxycarbonyl)amino]benzoic acid；2-(methoxycarbonylamino)benzoic acid
• CAS: 6268-38-8
• 化学式: C₉H₉NO₄
• mdl: MFCD00584138
• 分子量: 195.175
• InChiKey: VRBXNTUDJOJJDK-UHFFFAOYSA-N

物化性质

• 熔点：
  180.2-181.0 °C
• 沸点：
  297.3±23.0 °C(Predicted)
• 密度：
  1.380±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Carbomethoxyanthranilic acid 在 potassium carbonate 作用下， 生成 邻氨基苯甲酸
  参考文献：
  名称：

  Erdmann,E., Chemische Berichte, 1899, vol. 32, p. 2171

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-methoxycarbonylamino-phenyl)-glyoxylic acid 在 potassium dichromate 、 硫酸 作用下， 生成 N-Carbomethoxyanthranilic acid
  参考文献：
  名称：

  Heller; Lauth, Journal fur praktische Chemie (Leipzig 1954), 1926, vol. <2> 113, p. 230

  摘要：

  DOI：

文献信息

• PRODRUGS OF OPIOIDS AND USES THEREOF
  申请人：Franklin Richard

  公开号：US20110190267A1

  公开（公告）日：2011-08-04

  The present invention concerns prodrugs of opioid analgesics and pharmaceutical compositions containing such prodrugs. Methods for providing more consistent pain relief by increasing the bioavailability of the opioid analgesic with the aforementioned prodrugs are provided. The invention also provides for decreasing the adverse GI side effects of opioid analgesics.

  本发明涉及阿片类镇痛药的前药以及含有此类前药的药物组合物。本发明提供了通过前述前药增加阿片类镇痛药的生物利用度，从而提供更一致的疼痛缓解方法。该发明还提供了减少阿片类镇痛药对胃肠道的副作用的方法。
• PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS
  申请人：McGee Paul

  公开号：US20120165520A1

  公开（公告）日：2012-06-28

  The present invention provides a process for the synthesis of opioid prodrugs. In particular, the present invention provides a process for the synthesis of opioid prodrugs comprising: treating an opioid, in the form of a salt or a freebase, with a carbonyl synthon to form an activated intermediate and subsequently reacting the activated intermediate with an amine, in the form of a salt or a freebase.

  本发明提供了一种合成阿片类前药的方法。具体来说，本发明提供了一种合成阿片类前药的方法，包括：将阿片类药物（以盐或自由基形式存在）与羰基合成物处理，形成活化中间体，然后将活化中间体与胺（以盐或自由基形式存在）反应。
• Identification of degradation products of indigoids by tandem mass spectrometry
  作者：Katarzyna Witkoś、Katarzyna Lech、Maciej Jarosz

  DOI：10.1002/jms.3641

  日期：2015.11

  The study concerns identification of photodegradation products of indigotin, indirubin and isoindigo. Experimental methodology consists of degradation of standard solutions of indigoids in a solar box and analysis of samples taken at different aging time by using capillary high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometric and spectrophotometric detectors. Identification of the formed compounds was based on careful interpretation of the electrospray ionization MS/MS spectra. Apart from the well-known degradation products of indigoids: isatin, isatoic anhydride and anthranilic acid, another seven species were also identified, and their proposed structures were confirmed by high-resolution molecular masses measurements; according to the best knowledge of authors, they have not been reported so far. The obtained results formed the basis for postulating mechanism of the process. Moreover, the MRM (Multiple Reaction Monitoring) method was developed for the identification of natural dyes and their degradation products in textiles of historical value. Apart from such colorants as indigotin and flavonoids, also presence of degradation products of indigoids was confirmed. Copyright © 2015 John Wiley & Sons, Ltd.

  研究涉及靛蓝、靛红和异靛的光降解产物的鉴定。实验方法包括在太阳箱中对靛蓝标准溶液进行降解，并使用毛细管高效液相色谱法结合电喷雾离子化串联质谱和分光光度检测器对不同老化时间的样品进行分析。根据对电喷雾电离 MS/MS 图谱的仔细解读，对形成的化合物进行了鉴定。除了众所周知的靛蓝降解产物：异靛红、异靛酸酐和蚁酸外，还鉴定出另外七种化合物，并通过高分辨率分子质量测量确认了它们的拟议结构；据作者所知，这些化合物迄今为止尚未见报道。所获得的结果为推测这一过程的机理奠定了基础。此外，还开发了 MRM（多重反应监测）方法，用于鉴定具有历史价值的纺织品中的天然染料及其降解产物。除了靛红和类黄酮等着色剂外，还确认了靛蓝的降解产物。Copyright © 2015 John Wiley & Sons, Ltd. All Rights Reserved.
• MEPTAZINOL CARBAMATE PRODRUG SALTS
  申请人：McGee Paul

  公开号：US20120165315A1

  公开（公告）日：2012-06-28

  The present invention relates to salts of meptazinol carbamate prodrugs, and to their synthesis and use.

  本发明涉及美托咪唑碳酸酯前药的盐，以及它们的合成和使用。
• Total Synthesis of Spiro[cyclohexane‐2‐indoline] Alkaloids: A Regio‐ and Diastereoselective Spirocyclization Approach
  作者：Lu Chen、Kejing Xie、Jingyang Zhang、Liansuo Zu

  DOI：10.1002/anie.202212042

  日期：2022.12.5

  A direct spirocyclization approach was adopted for the concise chemical synthesis of a class of spiro[cyclohexane-2-indoline] alkaloids. Stereochemically complementary spirocyclic systems could be generated by manipulation of the spirocyclization pathway to favor the kinetic or thermodynamic product.

  采用直接螺环化方法简明化学合成一类螺[环己烷-2-二氢吲哚]生物碱。可以通过操纵螺环化途径来产生立体化学互补的螺环系统，以有利于动力学或热力学产物。