8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester | 108405-04-5

• 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: 8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester
• 英文别名: 8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester；ethyl 7,8-dichloro-12-methyl-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylate
• CAS: 108405-04-5
• 化学式: C₁₆H₁₃Cl₂NO₄
• 分子量: 354.19
• InChiKey: KADXTMOXKRLESU-UHFFFAOYSA-N

物化性质

• 熔点：
  234-237 °C (decomp)
• 沸点：
  530.9±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester 生成 9-Chloro-5-methyl-8-(4-(2-hydroxyethyl)-1-piperazinyl)-6,7-dihydro-1, 7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid
  参考文献：
  名称：

  TAKAGI, DZYUN;YADZIMA, MASAO;KIKUTI, TOSIAKI;SAEHKI, MASATSUGU

  摘要：

  DOI：
• 作为产物：
  描述：

  乙氧基甲叉丙二酸二乙酯 生成 8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  TAKAGI, DZYUN;YADZIMA, MASAO;KIKUTI, TOSIAKI;SAEHKI, MASATSUGU

  摘要：

  DOI：

文献信息

• Benzo[ij]quinolizine-2-carboxylic acids useful for treating bacterial
  申请人：Tokyo Tanabe Co. Limited

  公开号：US04720495A1

  公开（公告）日：1988-01-19

  Benzo[ij]quinolizine-2-carboxylic acid derivatives of the general formula [I] and the salts, and their hydrates are provided: ##STR1## wherein A is a methylene group and B is a carbonyl group when A and B are linked by a single bond, or A and B unite together to form a vinylene group when A and B are linked by a double bond, R.sup.1 is a hydrogen atom, a C.sub.1-3 alkyl group or a 2-hydroxyethyl group, R.sup.2 and R.sup.3 are hydrogen atoms, methyl groups or ethyl groups and may be identical to or different from each other, R.sup.3 may be attached to the same carbon atom as R.sup.2, R.sup.4 is a methyl or ethyl group, and X is a halogen atom. The benzo[ij]quinolizine-2-carboxylic acid derivatives and the salts, and their hydrates have good adsorbability from the digestive tract into the circulating blood and exhibit excellent and long-lasting antibacterial activity.

  提供一般式[I]的苯并[ij]喹啉-2-羧酸衍生物及其盐和水合物：其中A是一个亚甲基基团，B是一个羰基团，当A和B通过单键连接时，或者A和B通过双键连接时结合成乙烯基团，R.sup.1是氢原子，C.sub.1-3烷基基团或2-羟乙基基团，R.sup.2和R.sup.3是氢原子，甲基基团或乙基基团，可以相同也可以不同，R.sup.3可以连接到与R.sup.2相同的碳原子上，R.sup.4是甲基或乙基基团，X是卤素原子。苯并[ij]喹啉-2-羧酸衍生物及其盐和水合物具有良好的从消化道吸收到循环血液中的能力，并表现出优异且持久的抗菌活性。
• Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same
  申请人：TOKYO TANABE COMPANY LIMITED

  公开号：EP0203795A2

  公开（公告）日：1986-12-03

  Benzo[ij]quinolizine-2-carboxylic acid derivatives of the general formula [I] and the salts, and their hydrates are provided: wherein A is a methylene group and B is a carbonyl group when A and B are linked by a single bond, or A and B unite together to form a vinylene group when A and B are linked by a double bond, R1 is a hydrogen atom, a Cl-3 alkyl group or a 2-hydroxyethyl group, R2 and R3 are hydrogen atoms, methyl groups or ethyl groups and may be identical to or different from each other, R3 may be attached to the same carbon atom as R2, R4 is a methyl or ethyl group, and X is a halogen atom. The benzo-[ij]quinolizine-2-carboxylic acid derivatives and the salts, and their hydrates have good absorbability from the digestive tract into the circulating blood and exhibit excellent and long-lasting antibacterial activity.

  本发明提供了通式[I]的苯并[ij]喹嗪-2-羧酸衍生物及其盐类和它们的水合物： 其中，当 A 和 B 通过单键连接时，A 是亚甲基，B 是羰基；当 A 和 B 通过双键连接时，A 和 B 结合在一起形成乙烯基；R1 是氢原子、Cl-3 烷基或 2-羟乙基；R2 和 R3 是氢原子、甲基或乙基，可以彼此相同或不同；R3 可以连接到与 R2 相同的碳原子上；R4 是甲基或乙基；X 是卤素原子。苯并-[ij]喹嗪-2-羧酸衍生物及其盐类和它们的水合物具有良好的从消化道进入血液循环的可吸收性，并表现出卓越而持久的抗菌活性。
• TAKAGI, DZYUN;YADZIMA, MASAO;KIKUTI, TOSIAKI;SAEHKI, MASATSUGU
  作者：TAKAGI, DZYUN、YADZIMA, MASAO、KIKUTI, TOSIAKI、SAEHKI, MASATSUGU

  DOI：——

  日期：——
• US4720495A
  申请人：——

  公开号：US4720495A

  公开（公告）日：1988-01-19