6-氨基-4-氧代-4H-1-苯并吡喃-2-羧酸乙酯 | 30095-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 6-氨基-4-氧代-4H-1-苯并吡喃-2-羧酸乙酯
• 中文别名: 4H-1-苯并吡喃-2-羧酸,6-氨基-4-羰基乙酯
• 英文名称: ethyl 6-amino-4-oxo-4H-chromene-2-carboxylate
• 英文别名: ethyl 6-amino-4-oxochromen-2-carboxylate；6-amino-4-oxo-4H-chromene-2-carboxylic acid ethyl ester；2-ethoxycarbonyl-6-amino-chromone；ethyl 6-amino-4-oxo-4H-1-benzopyran-2-carboxylate；6-Amino-4-oxochromen-2-carbonsaeureaethylester；Ethyl-6-amino-4-oxochromen-2-carboxylat；ethyl 6-amino-4-oxochromene-2-carboxylate
• CAS: 30095-81-9
• 化学式: C₁₂H₁₁NO₄
• 分子量: 233.224
• InChiKey: XSTYSJKKDXUYRM-UHFFFAOYSA-N

物化性质

• 沸点：
  410.6±45.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  6-氨基-4-氧代-4H-1-苯并吡喃-2-羧酸乙酯 在 Oxone 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 50.0h， 生成 diethyl-6,6′-(diazene-1,2-diyl)bis(4-oxo-4H-chromene-2-carboxylate)
  参考文献：
  名称：

  [EN] NOVEL BIS-CHROMONE DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF
  [FR] NOUVEAUX DÉRIVÉS DE BIS-CHROMONE, LEURS PROCÉDÉS DE PRÉPARATION ET UTILISATIONS

  摘要：

  这项发明涉及新型双咖啡因衍生物，其制备方法及其治疗应用，特别是在涉及肥大细胞活化的疾病的治疗或预防中，如过敏性疾病。提供的是符合一般式（I）的化合物。

  公开号：

  WO2014098597A1
• 作为产物：
  描述：

  4-氧代-4H-色烯-2-羧酸乙酯 在 硫酸 、 palladium 10% on activated carbon 、 氢气 、 硝酸 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 6-氨基-4-氧代-4H-1-苯并吡喃-2-羧酸乙酯
  参考文献：
  名称：

  [EN] NOVEL BIS-CHROMONE DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF
  [FR] NOUVEAUX DÉRIVÉS DE BIS-CHROMONE, LEURS PROCÉDÉS DE PRÉPARATION ET UTILISATIONS

  摘要：

  这项发明涉及新型双咖啡因衍生物，其制备方法及其治疗应用，特别是在涉及肥大细胞活化的疾病的治疗或预防中，如过敏性疾病。提供的是符合一般式（I）的化合物。

  公开号：

  WO2014098597A1

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF AMYLOID-ASSOCIATED DISEASES<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE MALADIES ASSOCIÉES À LA SUBSTANCE AMYLOÏDE
  申请人：REMYND NV

  公开号：WO2016083490A1

  公开（公告）日：2016-06-02

  This invention provides novel compounds of formulae (I) or (II) or a stereoisomer, enantiomer, racemic, or tautomer thereof, (I) (II) wherein the substituents are as defined in the specification. The present invention also relates to the novel compounds for use as a medicine, more in particular for the prevention or treatment of amyloid-related diseases, more specifically certain neurological disorders, such as disorders collectively known as tauopathies, disorders characterized by cytotoxic α-synuclein amyloidogenesis. The present invention also relates to the use of said novel compounds for the manufacture of medicaments useful for treating such amyloid-related diseases. The present invention further relates to pharmaceutical compositions including said novel compounds and to methods for the preparation of said novel compounds.

  这项发明提供了式(I)或(II)或其立体异构体、对映异构体、消旋体或互变异构体的新化合物，其中取代基如规范中所定义。本发明还涉及用作药物的这些新化合物，更具体地用于预防或治疗与淀粉样蛋白相关的疾病，更具体地说是某些神经系统疾病，如被统称为tau病变的疾病，以及由细胞毒性α-突触核蛋白淀粉生成所特征化的疾病。本发明还涉及利用这些新化合物制备对治疗此类淀粉样蛋白相关疾病有用的药物。本发明还涉及包括这些新化合物的药物组合物以及这些新化合物的制备方法。
• [EN] NOVEL BIS-CHROMONE DERIVATIVES, METHODS FOR THEIR PREPARATION AND USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE BIS-CHROMONE, LEURS PROCÉDÉS DE PRÉPARATION ET UTILISATIONS
  申请人：UNIV GRONINGEN

  公开号：WO2014098597A1

  公开（公告）日：2014-06-26

  The invention relates to novel bis-chromone derivatives, methods for their preparation and their therapeutic application, especially in the treatment or prevention of disease involving mast cell activation, such as allergic disease. Provided is a compound according to the general Formula (I).

  这项发明涉及新型双咖啡因衍生物，其制备方法及其治疗应用，特别是在涉及肥大细胞活化的疾病的治疗或预防中，如过敏性疾病。提供的是符合一般式（I）的化合物。
• Pyranoquinolinones and analogs thereof
  申请人：Fisons Limited

  公开号：US04419352A1

  公开（公告）日：1983-12-06

  There are described compounds of formula I, ##STR1## in which an adjacent pair of R.sub.5, R.sub.6, R.sub.7 and R.sub.8 form a chain --CZC(G.sub.1).dbd.(G.sub.2)--Z--, R.sub.4, R.sub.9 and the remainder of R.sub.5, R.sub.6, R.sub.7 and R.sub.8, which may be the same or different, each represent hydrogen, alkyl, halogen, alkenyl, --NO.sub.2, --NR.sub.1 R.sub.2, --OR.sub.3, --S(O).sub.n R.sub.3 ; or alkyl substituted by hydroxy, amino, alkoxy or carbonyl oxygen, n is 0, 1 or 2, R.sub.1 and R.sub.2, which may be the same or different, each represent hydrogen, alkyl, --CONHR.sub.3, phenyl or phenyl substituted by alkyl or halogen, or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached form a 5 or 6 membered heterocyclic ring, R.sub.3 represents hydrogen, alkyl, alkenyl or phenyl, one of G.sub.1 and G.sub.2 is hydrogen and the other is a group E, each E, which may be the same or different, is --COOH, a 5-tetrazolyl group, or a carboxamidotetrazole group, each Z, which may be the same or different, is oxygen or sulphur, and one or two of the atoms, a, b, c and d are nitrogen atoms and the remainder are carbon atoms, R.sup.9 having no significance when two of a, b, c and d are nitrogen, (with certain exclusions) and pharmaceutically acceptable derivatives thereof. There are also described methods for making the compounds and pharmaceutical, e.g. anti-allergic, compositions and mixtures containing them.

  描述了具有I式化合物，其中相邻的R.sub.5、R.sub.6、R.sub.7和R.sub.8形成一个链--CZC(G.sub.1).dbd.(G.sub.2)--Z--，R.sub.4、R.sub.9和R.sub.5、R.sub.6、R.sub.7和R.sub.8的其余部分，它们可能相同也可能不同，分别代表氢、烷基、卤素、烯基、-NO.sub.2、-NR.sub.1 R.sub.2、-OR.sub.3、-S(O).sub.n R.sub.3；或被羟基、氨基、烷氧基或酰氧基取代的烷基，n为0、1或2，R.sub.1和R.sub.2，它们可能相同也可能不同，分别代表氢、烷基、-CONHR.sub.3、苯基或被烷基或卤素取代的苯基，或者R.sub.1和R.sub.2与它们连接的氮原子一起形成5或6元杂环环，R.sub.3代表氢、烷基、烯基或苯基，G.sub.1和G.sub.2中的一个是氢，另一个是E基团，每个E，可能相同也可能不同，是-羧基、5-四唑基团或羧酰氨基四唑基团，每个Z，可能相同也可能不同，是氧或硫，a、b、c和d中的一个或两个是氮原子，其余是碳原子，当a、b、c和d中两个是氮时，R.sup.9没有意义（具体排除了某些情况），以及其药用可接受的衍生物。还描述了制备这些化合物的方法以及含有它们的制药、例如抗过敏、组合物和混合物。
• Process for producing chromone compound
  申请人：Hibino Hiroaki

  公开号：US20050085664A1

  公开（公告）日：2005-04-21

  A process for producing a dicarboxylic acid compound represented by the formula (4): wherein R 1 and R 2 are the same or different and each represents lower alkyl and the wavy line indicates that this compound is the E- or Z-isomer or a mixture of them, characterized by reacting a compound represented by the formula (2): wherein R 1 , R 2 and the wavy line have the same meanings as the above, and one of X 2 and X 3 represents hydrogen and the other represents halogen, with nitrophenol represented by the formula (3): in the presence of a base; a process for producing a nitrochromone compound represented by the formula (5): wherein R 1 has the same meaning as the above, characterized by reacting the dicarboxylic acid compound or carboxylic acid thereof with an acid; a process for producing an aminochromone compound which comprises reducing the nitrochromone compound; and a process for producing an amidochromone compound which comprises acylating the aminochromone compound are provided.

  提供一种制备式（4）的二羧酸化合物的方法，其中R1和R2相同或不同，每个代表低级烷基，波浪线表示该化合物是E或Z异构体或它们的混合物，其特征在于将式（2）的化合物与硝基酚在碱的存在下反应，式中R1、R2和波浪线的含义与上述相同，X2和X3中的一个代表氢，另一个代表卤素；提供一种制备式（5）的硝基香豆素化合物的方法，其中R1的含义与上述相同，其特征在于将二羧酸化合物或其羧酸与酸反应；提供一种制备氨基香豆素化合物的方法，其包括还原硝基香豆素化合物；以及提供一种制备酰胺香豆素化合物的方法，其包括酰化氨基香豆素化合物。
• PROCESS FOR PRODUCING CHROMONE COMPOUND
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1479667A1

  公开（公告）日：2004-11-24

  A process for producing a dicarboxylic acid compound represented by the formula (4): wherein R1 and R2 are the same or different and each represents lower alkyl and the wavy line indicates that this compound is the E- or Z-isomer or a mixture of them, characterized by reacting a compound represented by the formula (2): wherein R1, R2 and the wavy line have the same meanings as the above, and one of X2 and X3 represents hydrogen and the other represents halogen, with nitrophenol represented by the formula (3): in the presence of a base; a process for producing a nitrochromone compound represented by the formula (5): wherein R1 has the same meaning as the above, characterized by reacting the dicarboxylic acid compound or carboxylic acid thereof with an acid; a process for producing an aminochromone compound which comprises reducing the nitrochromone compound; and a process for producing an amidochromone compound which comprises acylating the aminochromone compound are provided.

  一种生产由式(4)代表的二羧酸化合物的工艺： 其中 R1 和 R2 相同或不同，且各自代表低级烷基，波浪线表示该化合物为 E-或 Z-异构体或它们的混合物，其特征在于使式（2）所代表的化合物反应： 其中 R1、R2 和波浪线的含义与上述相同，X2 和 X3 中的一个代表氢，另一个代表卤素： 在碱存在下；生产式（5）代表的硝基色酮化合物的工艺： 其中 R1 的含义与上述相同，其特征在于使二羧酸化合物或其羧酸与酸反应；提供了一种生产氨基色素化合物的工艺，该工艺包括还原硝基色素化合物；以及一种生产氨基色素化合物的工艺，该工艺包括酰化氨基色素化合物。