3-chloro-4-methyl-5-nitro benzoic acid | 181871-69-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-4-methyl-5-nitro benzoic acid
• 英文别名: 3-nitro-4-methyl-5-chlorobenzoic acid；3-chloro-4-methyl-5-nitro-benzoic acid；3-Chlor-4-methyl-5-nitro-benzoesaeure；5-Chlor-3-nitro-p-toluylsaeure；3-Chloro-4-methyl-5-nitrobenzoic acid
• CAS: 181871-69-2
• 化学式: C₈H₆ClNO₄
• mdl: MFCD11557521
• 分子量: 215.593
• InChiKey: STKVPMWGJYNHPT-UHFFFAOYSA-N

物化性质

• 沸点：
  362.8±42.0 °C(Predicted)
• 密度：
  1.517±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 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：

  3-chloro-4-methyl-5-nitro benzoic acid 在 potassium permanganate 、 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 以49%的产率得到2-chloro-6-nitroterephthalic acid
  参考文献：
  名称：

  [EN] PROLYL HYDROXYLASE INHIBITORS
  [FR] INHIBITEURS DE LA PROLYL HYDROXYLASE

  摘要：

  本发明涉及某些公式（I）的2,4-二氧代-1,2,3,4-四氢-7-喹唑啉羧酰胺衍生物，这些衍生物是HIF脯氨酸羟化酶的拮抗剂，对于治疗受益于抑制该酶的疾病是有用的，贫血就是一个例子。

  公开号：

  WO2010059549A1
• 作为产物：
  描述：

  3,5-二硝基-4-甲基苯甲酸 在 盐酸 、 tin(ll) chloride 作用下， 生成 3-chloro-4-methyl-5-nitro benzoic acid
  参考文献：
  名称：

  Claus; Beysen, Justus Liebigs Annalen der Chemie, 1891, vol. 266, p. 223,227

  摘要：

  DOI：

文献信息

• 2-imidazoline, 2-oxazoline, 2-thiazoline, and 4-imidazole derivatives of
  申请人：Syntex (U.S.A) Inc.

  公开号：US05952362A1

  公开（公告）日：1999-09-14

  The present invention concerns novel compounds represented by the Formula: ##STR1## wherein: A is R.sup.1.sub.q (R.sup.3 R.sup.60 N).sub.m (Z)(NR.sup.2).sub.n ; m and q are each 0 or 1, with the proviso that when q is 1, m is 0 and when q is 0, m is 1; Z is C.dbd.O or SO.sub.2 ; n is 1 with the proviso that, when Z is C.dbd.O, m is 1; X is --NH--, --CH.sub.2 --, or --OCH.sub.2 --; Y is 2-imidazoline, 2-oxazoline, 2-thiazoline, or 4-imidazole; R.sup.1 is H, lower alkyl, or phenyl, with the proviso that, when R.sup.1 is H, m is 1; R.sup.2, R.sup.3, R.sup.60 are each independently H, lower alkyl, or phenyl; R.sup.4, R.sup.5, R.sup.6, and R.sup.7 are each independently hydrogen, lower alkyl, --CF.sub.3, lower alkoxy, halogen, phenyl, lower alkeny, hydroxyl, lower alkylsulfonamido, or lower cycloalkyl, wherein R.sup.2 and R.sup.7 optionally may be taken together to form alkylene or alkenylene of 2 to 3 atoms in an unsubstituted or optionally substituted 5- or 6-membered ring, wherein the optional substituents on the ring are halo, lower alkyl, or --CN, with the proviso that, when R.sup.7 is hydroxyl or lower alkylsulfonamido, then X is not --NH-- when Y is 2-imidazoline. The compounds include pharmaceutically acceptable salts of the above. In the above formula A may be, for example, (R.sup.1 SO.sub.2 NR.sup.2 --), (R.sup.3 R.sup.60 NSO.sub.2 NR.sup.2 --), or (R.sup.3 R.sup.60 NCONR.sup.2 --). The invention also includes the use of the above compounds, and compositions containing them, as alpha.sub.1A/1L agonists in the treatment of various disease states such as urinary incontinence, nasal congestion, priapism, depression, anxiety, dementia, senility, Alzheimer's, deficiencies in attentiveness and cognition, and eating disorders such as obesity, bulimia, and anorexia.

  本发明涉及由以下式表示的新化合物：##STR1## 其中：A为R.sup.1_sub_q(R.sup.3 R.sup.60 N).sub.m(Z)(NR.sup.2).sub.n；m和q各为0或1，但条件是当q为1时，m为0，当q为0时，m为1；Z为C.dbd.O或SO.sub.2；n为1，但条件是当Z为C.dbd.O时，m为1；X为--NH--，--CH.sub.2--或--OCH.sub.2--；Y为2-咪唑啉，2-噁唑啉，2-硫唑啉或4-咪唑醇；R.sup.1为H，低碳烷基或苯基，但条件是当R.sup.1为H时，m为1；R.sup.2，R.sup.3，R.sup.60各自独立地为H，低碳烷基或苯基；R.sup.4，R.sup.5，R.sup.6和R.sup.7各自独立地为氢，低碳烷基，--CF.sub.3，低烷氧基，卤素，苯基，低烯基，羟基，低烷基磺酰胺基或低环烷基，其中R.sup.2和R.sup.7可选择地结合在一起形成未取代或可选择取代的5-或6-成员环的2至3个原子的烯烃或烷基，环上的可选择取代基为卤素，低碳烷基或--CN，但条件是当R.sup.7为羟基或低烷基磺酰胺基时，当Y为2-咪唑啉时，X不是--NH--。这些化合物包括上述的药用盐。在上述的式子中，A可以是(R.sup.1 SO.sub.2 NR.sup.2--)，(R.sup.3 R.sup.60 NSO.sub.2 NR.sup.2--)或(R.sup.3 R.sup.60 NCONR.sup.2--)。该发明还包括上述化合物的使用，以及含有它们的组合物，作为α.sub.1A/1L激动剂用于治疗各种疾病状态，如尿失禁、鼻塞、勃起异常、抑郁症、焦虑症、痴呆、老年痴呆症、阿尔茨海默氏病、注意力和认知缺陷、以及如肥胖症、暴食症和厌食症等的进食障碍。
• 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS
  申请人：Siegel Stephan

  公开号：US20100105663A1

  公开（公告）日：2010-04-29

  The invention relates to substituted indazoles and methods for production thereof and use thereof for the production of medicinal products for the treatment and/or prophylaxis of diseases, especially of cardiovascular diseases, preferably of thromboembolic diseases.

  该发明涉及取代吲唑并且生产方法以及用于制备治疗和/或预防疾病的药物的用途，特别是心血管疾病，最好是血栓栓塞疾病。
• NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS
  申请人：Wagner Holger

  公开号：US20120108572A1

  公开（公告）日：2012-05-03

  Heteroaryloxy-substituted benzoic acid amides of general formula I wherein the groups R 1 to R 7 as well as X and Y are defined according to claim 1 , including the tautomers, the stereoisomers, the mixtures and the salts thereof. The compounds according to the invention are suitable for the treatment of respiratory complaints, particularly COPD and asthma.

  通式I的杂环氧基取代苯甲酸酰胺，其中基团R1至R7以及X和Y根据权利要求1定义，包括其互变异构体、立体异构体、混合物和盐。本发明的化合物适用于治疗呼吸道疾病，特别是COPD和哮喘。
• Prolyl Hydroxylase Inhibitors
  申请人：Gotchev Dimitar B.

  公开号：US20100298324A1

  公开（公告）日：2010-11-25

  The invention described herein relates to certain 4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

  本发明涉及一些公式（I）所示的4-氧代-2-硫代-1，2，3，4-四氢-7-喹唑啉羧酰胺衍生物，它们是HIF脯氨酸羟化酶的拮抗剂，并且用于治疗受益于抑制该酶的疾病，贫血是其中的一个例子。
• Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0887346A2

  公开（公告）日：1998-12-30

  The present invention concerns novel compounds represented by the Formula: wherein: A is R1q(R3R60N)m(Z)(NR2)n; m and q are each 0 or 1, with the proviso that when q is 1, m is 0 and when q is 0, m is 1; Z is C=O or SO 2; n is 1 with the proviso that, when Z is C=O, m is 1; X is -NH-, -CH2-, or -OCH2-; Y is 2-imidazoline, 2-oxazoline, 2-thiazoline, or 4-imidazole; R 1 is H, lower alkyl, or phenyl, with the proviso that, when R1 is H, m is 1; R2, R3, R60 are each independently H, lower alkyl, or phenyl; R4, R5, R6, and R7 are each independently hydrogen, lower alkyl, - CF 3, lower alkoxy, halogen, phenyl, lower alkeny, hydroxyl, lower alkylsulfonamido, or lower cycloalkyl, wherein R2 and R7 optionally may be taken together to form alkylene or alkenylene of 2 to 3 atoms in an unsubstituted or optionally substituted 5-or 6-membered ring, wherein the optional substituents on the ring are halo, lower alkyl, or -CN, with the proviso that, when R7 is hydroxyl or lower alkylsulfonamido, then X is not -NH- when Y is 2-imidazoline. The compounds include pharmaceutically acceptable salts of the above. In the above formula A may be, for example, (R1SO2NR2-), (R3R60NSO2NR2-), or (R3R60NCONR2-). The invention also includes the use of the above compounds, and compositions containing them, as alpha 1A/1L agonists in the treatment of various disease states such as urinary incontinence, nasal congestion, priapism, depression, anxiety, dementia, senility, Alzheimer's, deficiencies in attentiveness and cognition, and eating disorders such as obesity, bulimia, and anorexia.

  本发明涉及由式表示的新型化合物： 其中A为R1q(R3R60N)m(Z)(NR2)n；m和q各自为0或1，但当q为1时，m为0，当q为0时，m为1；Z为C=O或SO 2；n为1，但当Z为C=O时，m为1；X为-NH-、-CH2-或-OCH2-；Y 是 2-咪唑啉、2-噁唑啉、2-噻唑啉或 4-咪唑；R 1 是 H、低级烷基或苯基，但当 R1 是 H 时，m 是 1；R2、R3、R60 各自独立地是 H、低级烷基或苯基；R4、R5、R6 和 R7 各自独立地为氢、低级烷基、- CF 3、低级烷氧基、卤素、苯基、低级烯基、羟基、低级烷基磺酰胺基或低级环烷基，其中 R2 和 R7 可任选地结合在一起，在未取代或任选取代的 5 或 6 元环中形成 2 至 3 个原子的亚烷基或烯基、其中环上的任选取代基为卤代、低级烷基或-CN，但当 R7 为羟基或低级烷基磺酰胺基时，当 Y 为 2-咪唑啉时，X 不是-NH-。化合物包括上述化合物的药学上可接受的盐。在上式中，A 例如可以是 (R1SO2NR2-)、(R3R60NSO2NR2-) 或 (R3R60NCONR2-)。本发明还包括上述化合物和含有它们的组合物作为α1A/1L激动剂在治疗各种疾病状态中的用途，如尿失禁、鼻塞、妄想症、抑郁症、焦虑症、痴呆症、衰老症、老年痴呆症、注意力和认知能力不足，以及饮食失调症，如肥胖症、贪食症和厌食症。