2,4-二氯-3-甲基-5-硝基苯甲酸 | 103877-66-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,4-二氯-3-甲基-5-硝基苯甲酸
• 英文名称: 2,4-dichloro-3-methyl-5-nitrobenzoic acid
• CAS: 103877-66-3
• 化学式: C₈H₅Cl₂NO₄
• 分子量: 250.038
• InChiKey: DKZHUGYVUPWYAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-二氯-3-甲基-5-硝基苯甲酸 生成 5-amino-2,4-dichloro-3-methylbenzoic acid
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  2',4'-二氯-3'-甲基苯乙酮 在 硫酸 、 硝酸 作用下， 以 水 为溶剂， 以85%的产率得到2,4-二氯-3-甲基-5-硝基苯甲酸
  参考文献：
  名称：

  1-(环丙基/2,4-二氟苯基/叔丁基)-1,4-二氢-8-甲基-6-硝基-4-氧代-7-(取代仲氨基)喹啉-3的合成和体外抗分枝杆菌评价-羧酸

  摘要：

  五十一种新型 1-(环丙基/2,4-二氟苯基/叔丁基)-1,4-二氢-8-甲基-6-硝基-4-氧代-7-(取代仲氨基)喹啉-3-羧酸由 1,3-二氯-2-甲苯合成，并评估了体外抗结核分枝杆菌 H37Rv (MTB)、耐多药结核分枝杆菌 (MDR-TB) 和耻垢分枝杆菌 (MC2) 的活性。在合成的化合物中，1-环丙基-1,4-二氢-7-(3,4-二氢-6,7-二甲氧基异喹啉-2(1H)-基)-8-甲基-6-硝基-4-氧喹啉-发现 3-羧酸 9p 是体外活性最强的化合物，对 MTB 的 MIC 值为 0.39 μM。抗耐多药结核病，化合物 7-(2-carboxy-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-yl)-1-cyclopropyl-1，

  DOI：

  10.1002/ardp.200800015

文献信息

• HIV REPLICATION INHIBITOR
  申请人：Shionogi & Co., Ltd.

  公开号：US20140249306A1

  公开（公告）日：2014-09-04

  The present invention provides a novel compound having an antiviral action, in particular, an HIV replication inhibiting action, as well as a pharmaceutical composition, in particular, an anti-HIV agent. wherein, a broken line means the presence or absence of a bond; R 1 is substituted or unsubstituted alkyl etc., R 2 is substituted or unsubstituted alkyloxy etc.; n is 1 or 2; R 3 is a substituted or unsubstituted aromatic carbocyclic group; R 4 is a hydrogen atom etc.; R 5 is a substituted or unsubstituted aromatic carbocyclic group etc.; Y is a single bond etc.; R 6 is substituted or unsubstituted alkyl; R 7 is —Z—R 71 etc.; Z is —NR 72 —CO— etc.; R 71 is substituted or unsubstituted alkyl etc.; R 72 is a hydrogen atom etc.

  本发明提供了一种具有抗病毒作用的新化合物，特别是具有抑制HIV复制作用的化合物，以及一种药物组合物，特别是一种抗HIV药物。其中，虚线表示键的存在或不存在；R1是取代或未取代的烷基等，R2是取代或未取代的烷氧基等；n为1或2；R3是取代或未取代的芳香环烷基；R4是氢原子等；R5是取代或未取代的芳香环烷基等；Y是单键等；R6是取代或未取代的烷基；R7是—Z—R71等；Z是—NR72—CO—等；R71是取代或未取代的烷基等；R72是氢原子等。
• Antibacterially active
  申请人：Bayer Aktiengesellschaft

  公开号：US04762844A1

  公开（公告）日：1988-08-09

  Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids of the formula ##STR1## in which X.sup.1, X.sup.2 and X.sup.3 each independently is hydrogen, a nitro group, a halogen atom or an alkyl radical with 1 to 3 carbon atoms, with the proviso that at least one of them is an alkyl radical, or pharmaceutically acceptable salts or hydrates thereof, are antibacterially active and promote animal growth.

  式子为##STR1##的烷基-1-环丙基-1,4-二氢-4-氧基-3-喹啉羧酸，其中X.sup.1，X.sup.2和X.sup.3各自独立地为氢，硝基，卤素原子或具有1至3个碳原子的烷基基团，但其中至少一个是烷基基团，或其药学上可接受的盐或水合物，具有抗菌活性并促进动物生长。
• Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids
  申请人：Bayer Aktiengesellschaft

  公开号：US04804760A1

  公开（公告）日：1989-02-14

  A process for the preparation of a compound of the formula ##STR1## in which Y is a nitrile group, an ester group COOR.sup.1 or an acid amide CONR.sup.2 R.sup.3, R.sup.1, R.sup.2 and R.sup.3 each independently is hydrogen or C.sub.1 -C.sub.4 -alkyl, and R.sup.3 may also be phenyl, and X.sup.2, X.sup.3, X.sup.4 and X.sup.5 each independently is hydrogen, halogen, nitro, cyano, alkyl having 1-3 carbon atoms, alkoxy having 1-3 carbon atoms, alkylmercapto having 1-3 carbon atoms, alkyl-sulphonyl having 1-3 carbon atoms, or a phenylsulphonyl group which is optionally substituted in the aryl radical, comprising reacting an aminoacrylate of the formula in which X.sup.1 is halogen, a nitro group, an alkoxy, alkoxy, alkylmercapto or alkylsulphonyl group having 1-3 carbon atoms in each case, or an arylsulphonyl group, W is hydrogen or a --CH.sub.2 CH.sub.2 Z radical, Z is a nitrile group, an ester group COOR.sup.4 or an acid amide group CONR.sup.5 R.sup.6, and R.sup.4, R.sup.5 and R.sup.6 each independently is hydrogen or C.sub.1 -C.sub.4 -alkyl, and R.sup.5 may also be phenyl, with an acid acceptor in an aprotic solvent. Some of the reactants are new, as are the products which are intermediates for antibacterially active 1-alkyl-4-quinolone-3-carboxylic acids.

  一种制备公式##STR1##中化合物的过程，其中Y是腈基，酯基COOR.sup.1或酸酰胺CONR.sup.2R.sup.3，R.sup.1，R.sup.2和R.sup.3各自独立地是氢或C.sub.1-C.sub.4-烷基，而R.sup.3也可以是苯基，而X.sup.2，X.sup.3，X.sup.4和X.sup.5各自独立地是氢，卤素，硝基，氰基，具有1-3个碳原子的烷基，具有1-3个碳原子的烷氧基，具有1-3个碳原子的烷基硫醇基，具有1-3个碳原子的烷基磺酰基，或者是苯基磺酰基，该苯基磺酰基在芳基中可以选择性地被取代，包括在无极溶剂中用酸受体反应氨基丙酸酯的公式，其中X.sup.1是卤素，硝基，烷氧基，烷氧基，烷基硫醇基或烷基磺酰基，每种情况下都具有1-3个碳原子，或芳基磺酰基，W是氢或--CH.sub.2 CH.sub.2 Z基，Z是腈基，酯基COOR.sup.4或酸酰胺基CONR.sup.5R.sup.6，而R.sup.4，R.sup.5和R.sup.6各自独立地是氢或C.sub.1-C.sub.4-烷基，而R.sup.5也可以是苯基，反应物中有一些是新的，产品是抗菌活性1-烷基-4-喹啉酮-3-羧酸的中间体。
• 4-Hydroxy-quinoline-3-carboxylic
  申请人：Bayer Aktiengesellschaft

  公开号：US04870182A1

  公开（公告）日：1989-09-26

  A process for the preparation of a compound of the formula ##STR1## in which Y is a nitrile group, an ester group COOR.sup.1 or an acid amide CONR.sup.2 R.sup.3, R.sup.1, R.sup.2 and R.sup.3 each independently is hydrogen or C.sub.1 -C.sub.4 -alkyl, and R.sup.3 may also be phenyl, and X.sup.2, X.sup.3, X.sup.4 and X.sup.5 each independently is hydrogen, halogen, nitro, cyano, alkyl having 1-3 carbon atoms, alkoxy having 1-3 carbon atoms, alkylmercapto having 1-3 carbon atoms, alkylsulphonyl having 1-3 carbon atoms, or a phenylsulphonyl group which is optionally substituted in the aryl radical, comprising reacting an aminoacrylate of the formula in which X.sup.1 is halogen, a nitro group, an alkoxy, alkoxy, alkylmercapto or alkylsulphonyl group having 1-3 carbon atoms in each case, or an arylsulphonyl group, W is hydrogen or a --CH.sub.2 CH.sub.2 Z radical, Z is is a nitrile group, an ester group COOR.sup.4 or an acid amide group CONR.sup.5 R.sup.6, and R.sup.4, R.sup.5 and R.sup.6 each independently is hydrogen or C.sub.1 -C.sub.4 -alkyl, and R.sup.5 may also be phenyl, with an acid acceptor in an aprotic solvent. Some of the reactants are new, as are the products which are intermediates for antibacterially active 1-alkyl-4-quinolone-3-carboxylic acids.

  一种制备式为##STR1##化合物的方法，其中Y是腈基，酯基COOR.sup.1或酸酰胺CONR.sup.2R.sup.3，R.sup.1、R.sup.2和R.sup.3各自独立地是氢或C.sub.1-C.sub.4-烷基，且R.sup.3还可以是苯基，X.sup.2、X.sup.3、X.sup.4和X.sup.5各自独立地是氢、卤素、硝基、氰基、具有1-3个碳原子的烷基、具有1-3个碳原子的烷氧基、具有1-3个碳原子的烷基硫醇基、具有1-3个碳原子的烷基磺酰基或者是苯基磺酰基，其在芳基基团上可选择性地取代，包括在无极溶剂中与式为X.sup.1为卤素、硝基、烷氧基、烷氧基、具有1-3个碳原子的烷基硫醇基或烷基磺酰基的情况下，或者是芳基磺酰基，W是氢或--CH.sub.2 CH.sub.2 Z基团，Z是腈基、酯基COOR.sup.4或酸酰胺基团CONR.sup.5R.sup.6，R.sup.4、R.sup.5和R.sup.6各自独立地是氢或C.sub.1-C.sub.4-烷基，且R.sup.5还可以是苯基，与酸受体反应的方法。其中一些反应物是新的，产物是抗菌活性1-烷基-4-喹啉酮-3-羧酸的中间体。
• Alkyl-l-cyclopropyl-l,4-dihydro-4-oxo-3-chinolincarbonsäuren, Verfahren zu ihrer Herstellung sowie diese enthaltende antibakterielle Mittel
  申请人：BAYER AG

  公开号：EP0181588A2

  公开（公告）日：1986-05-21

  Dis Erfindung betrifft neue alkyl-1-cyclopropyl,1,4-dihydro-4-oxo-3-chinotincarbonsäuren, Verfahren zu ihrer Herstellung sowie diese enthaltende antibakterielle Mittel und ihre Verwendung bei der Bekämpfung von Krankheiten.

  本发明涉及新的烷基-1-环丙基、1,4-二氢-4-氧代-3-喹啉羧酸、其制备工艺和含有它们的抗菌剂及其在防治疾病中的用途。