1,4-Dihydro-8-methyl-5-nitro-4-oxo-3-quinolinecarboxylic acid | 641993-10-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1,4-Dihydro-8-methyl-5-nitro-4-oxo-3-quinolinecarboxylic acid
• 英文别名: 8-methyl-5-nitro-4-oxo-1H-quinoline-3-carboxylic acid
• CAS: 641993-10-4
• 化学式: C11H8N2O5
• 分子量: 248.19
• InChiKey: XOUSMEBJLRRYGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 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：
  112
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Process for producing 5-amino-8-alkylquinolonecarboxylic acid derivative and intermediates in the production thereof
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：US20020193591A1

  公开（公告）日：2002-12-19

  The present invention provides a process for producing intermediates of antibacterial agents in accordance with the following steps and intermediates in the production thereof. 1 (wherein R 1 : hydrogen atom or nitro group; R 2 : an alkyl group having 1 to 6 carbon atoms; R 3 , R 4 : an alkyl group having 1 to 6 carbon atoms or may form a 5-membered or 6-membered cyclic structure in combination with the nitrogen atom to which they are bonded, and the cyclic structure may contain oxygen atom, nitrogen atom, sulfinyl group, or sulfonyl group as a ring-constituting element; R 6 : a halogenocycloalkyl group having 3 to 6 carbon atoms; X 1 represents a halogen atom or hydrogen atom; X 2 , X 3 : a leaving group; and Y: an alkyl group having 1 to 6 carbon atoms or an alkenyl group having 2 to 6 carbon atoms)

  本发明提供了一种生产抗菌剂中间体的方法，包括以下步骤和其中间体的生产。其中，步骤1中的R1表示氢原子或硝基；R2表示具有1至6个碳原子的烷基基团；R3和R4表示具有1至6个碳原子的烷基基团，或者可以与它们连接的氮原子形成5元环或6元环结构，该环结构可以包含氧原子、氮原子、亚砜基或磺酰基作为环构成元素；R6表示具有3至6个碳原子的卤代环烷基团；X1表示卤原子或氢原子；X2和X3表示离去基团；Y表示具有1至6个碳原子的烷基基团或具有2至6个碳原子的烯基基团。
• PROCESS FOR PRODUCING 5-AMINO-8- ALKYLQUINOLO NECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES IN THE PRODUCTION THEREOF
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1167344A1

  公开（公告）日：2002-01-02

  The present invention provides a process for producing intermediates of antibacterial agents in accordance with the following steps and intermediates in the production thereof. (wherein R1: hydrogen atom or nitro group; R2: an alkyl group having 1 to 6 carbon atoms; R3, R4: an alkyl group having 1 to 6 carbon atoms or may form a 5-membered or 6-membered cyclic structure in combination with the nitrogen atom to which they are bonded, and the cyclic structure may contain oxygen atom, nitrogen atom, sulfinyl group, or sulfonyl group as a ring-constituting element; R6: a halogenocycloalkyl group having 3 to 6 carbon atoms; X1 represents a halogen atom or hydrogen atom; X2, X3: a leaving group; and Y: an alkyl group having 1 to 6 carbon atoms or an alkenyl group having 2 to 6 carbon atoms)

  本发明提供了一种按照下列步骤生产抗菌剂中间体的工艺及其生产中间体。 (其中 R1：氢原子或硝基；R2：具有 1 至 6 个碳原子的烷基；R3、R4：具有 1 至 6 个碳原子的烷基或可与所键合的氮原子结合形成 5 元或 6 元环状结构，环状结构中可含有氧原子、氮原子、亚磺酰基或磺酰基作为构环元素；R6：具有 3 至 6 个碳原子的卤代环烷基；X1 代表卤原子或氢原子；X2、X3：离去基团；以及 Y：具有 1 至 6 个碳原子的烷基或具有 2 至 6 个碳原子的烯基）。