6,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid | 87164-29-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid
• 英文别名: 6,7-dihydroxy-2-methylchromone-3-carboxylic acid；6,7-dihydroxy-2-methyl-4-oxochromene-3-carboxylic acid
• CAS: 87164-29-2
• 化学式: C₁₁H₈O₆
• 分子量: 236.181
• InChiKey: ARUJSBWBEIOLKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid 生成 6,7-diacetoxy-2-methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid
  参考文献：
  名称：

  NEGI, SHIGETO;NOMOTO, SEIICHIRO;KAMIYA, TAKASHI;MACHIDA, YOSHIMASA;SAITO,+

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 3-oxo-2-(2,4,5-triacetyloxybenzoyl)butanoate 生成 6,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-3-carboxylic acid
  参考文献：
  名称：

  NEGI, SHIGETO;NOMOTO, SEIICHIRO;KAMIYA, TAKASHI;MACHIDA, YOSHIMASA;SAITO,+

  摘要：

  DOI：

文献信息

• 7-Carboxymethoxyphenylacetamido-3-cephem derivatives and antibacterial
  申请人：Eisai Co., Ltd.

  公开号：US04546176A1

  公开（公告）日：1985-10-08

  7-Carboxymethoxyphenylacetamido-3-cephem derivatives represented by the formula ##STR1## wherein R.sub.1 means hydroxy, C.sub.1 -C.sub.4 alkanoyloxy or C.sub.1 -C.sub.4 alkoxycarbonyloxy, R.sub.2 is hydrogen or methoxy, R.sub.3 denotes C.sub.1 -C.sub.4 alkanoyloxy, substituted or unsubstituted nitrogen-containing heterocyclic-thio or substituted or unsubstituted pyridinium with a proviso that, when R.sub.3 denotes the substituted or unsubstituted pyridinium, R.sub.3 forms an intramolecular salt with the carboxy at the 4-position of the cephem nucleus, and A is a group of the following formula: ##STR2## in which R.sub.4 and R.sub.5 are individually hydrogen or C.sub.1 -C.sub.4 alkyl, and their pharmaceutically acceptable salts, exhibit excellent anti-bacterial activities against Gram-negative bacteria, particularly, Pseud. aeruginosa, Kleb. pneumoniae, Ser. marcescens and the like.

  7-羧甲氧基苯乙酰胺基-3-头孢菌素衍生物的化学式为##STR1##其中R.sub.1代表羟基，C.sub.1 -C.sub.4烷酰氧基或C.sub.1 -C.sub.4烷氧羰基氧基，R.sub.2为氢或甲氧基，R.sub.3表示C.sub.1 -C.sub.4烷酰氧基，取代或未取代的含氮杂环硫或取代或未取代的吡啶阳离子，但当R.sub.3表示取代或未取代的吡啶阳离子时，R.sub.3与头孢菌素核的4位羧基形成分子内盐，A为以下化学式的基团：##STR2##其中R.sub.4和R.sub.5分别为氢或C.sub.1 -C.sub.4烷基，及其药用可接受的盐，对革兰氏阴性细菌，特别是铜绿假单胞菌、克雷伯菌、马克赛菌等表现出优异的抗菌活性。
• 2-Methylchromone derivatives and process for their preparation
  申请人：Eisai Co., Ltd.

  公开号：US04513145A1

  公开（公告）日：1985-04-23

  A novel 2-methylchromone derivative represented by the general formula: ##STR1## wherein R.sub.1 means a hydrogen atom or a lower alkanoyl group. The above derivative is a useful intermediate for the synthesis of cephem activities, which are also effective against infections of the urinary tract, etc. A preparation process of the above chromone derivative is also disclosed.

  一种新型的2-甲基香豆素衍生物，其通式表示为：## STR1 ## 其中R1表示氢原子或较低的烷酰基。上述衍生物是头孢菌素活性的有用中间体，对泌尿道感染等也具有有效作用。还公开了上述香豆素衍生物的制备过程。
• 2-Methylchromone derivatives and their preparation process
  申请人：Eisai Co., Ltd.

  公开号：EP0114899A1

  公开（公告）日：1984-08-08

  A novel 2-methylchromone derivative represented by the general formula: wherein R, means a hydrogen atom or a lower alkanoyl group. The above derivative is a useful intermediate for the synthesis of cephem activities, which are also effective against infections of the urinary tract. etc. A preparation process of the above chromone derivative is also disclosed.

  一种新型 2-甲基铬酮衍生物，其通式如下： 其中 R 指氢原子或低级烷酰基。 上述衍生物是合成头孢活性物质的有用中间体，对泌尿道感染等也有效。
• NEGI, SHIGETO;NOMOTO, SEIICHIRO;KAMIYA, TAKASHI;MACHIDA, YOSHIMASA;SAITO,+
  作者：NEGI, SHIGETO、NOMOTO, SEIICHIRO、KAMIYA, TAKASHI、MACHIDA, YOSHIMASA、SAITO,+

  DOI：——

  日期：——
• NEHGI, SIGEHTO;NOMOTO, SEHJITIRO;KAMITANI, TAKASI;MATIDA, JOSIMASA;SAJTO,+
  作者：NEHGI, SIGEHTO、NOMOTO, SEHJITIRO、KAMITANI, TAKASI、MATIDA, JOSIMASA、SAJTO,+

  DOI：——

  日期：——