3-甲基-2,4-二硝基苯胺 | 10202-92-3

• 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: 3-甲基-2,4-二硝基苯胺
• 英文名称: 3-methyl-2,4-dinitroaniline
• 英文别名: 2,4-Dinitro-m-toluidine
• CAS: 10202-92-3
• 化学式: C₇H₇N₃O₄
• 分子量: 197.15
• InChiKey: RGHYJDKBMRBWHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-甲基-2,4-二硝基苯胺 在 三氧化二氮 、 硝酸 作用下， 生成 2,3,6-三硝基甲苯
  参考文献：
  名称：

  Koerner; Contardi, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1916, vol. <5> 25 II, p. 348

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二硝基甲苯 生成 3-甲基-2,4-二硝基苯胺
  参考文献：
  名称：

  杂环重排。第六部分 4-酰基-和4-亚氨基烷基-苯并呋喃恶烷的重排：蒽和吲唑环系统的新合成

  摘要：

  通过从相应的3-取代的2-硝基苯基叠氮化物上进行氮消除反应制得4-酰基-和4-亚氨基烷基-苯并呋喃，自发地重排至蒽和吲唑环系统。制备4-烯基苯并呋喃的尝试失败。在3-氯-2-硝基-和3-甲氧基-2-硝基-苯甲醛中，硝基被亲核试剂取代，优先于氯原子的甲氧基。

  DOI：

  10.1039/j29660001011

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。
• 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability
  申请人：The Procter & Gamble Company

  公开号：US06486190B1

  公开（公告）日：2002-11-26

  Benzimidazole compounds having the generic structure: are used to treat alpha-2 mediated disorders, including nasal congestion, glaucoma, asthma, migraine, and diarrhea.

  苯并咪唑类化合物具有以下通用结构：用于治疗α-2介导的疾病，包括鼻塞、青光眼、哮喘、偏头痛和腹泻。
• 6-(2-imidazolinylamino)quinoxaline compounds useful as alpha-2
  申请人：The Procter & Gamble Company

  公开号：US06117871A1

  公开（公告）日：2000-09-12

  The subject invention relates to methods of treating alpha-2 adenoreceptor modulated disorders, comprising administration, to a mammal in need of such treatment, of a safe and effective amount of a compound having the following structure: ##STR1## wherein: (a) R is unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; and (b) R' is selected from hydrogen; unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; unsubstituted C.sub.1 -C.sub.3 alkylthio or alkoxy; hydroxy; thiol; and halo. The subject invention also relates compounds and compositions for preventing or treating of disorders modulated by alpha-2 adrenoreceptors.

  该发明涉及治疗α-2腺苷受体调节性疾病的方法，包括向需要此类治疗的哺乳动物施用具有以下结构的化合物的安全有效量：##STR1##其中：(a) R为未取代的C.sub.1 -C.sub.3烷基或烯基；和(b) R'选自氢；未取代的C.sub.1 -C.sub.3烷基或烯基；未取代的C.sub.1 -C.sub.3烷基硫醚或烷氧基；羟基；硫醇；和卤素。该发明还涉及预防或治疗由α-2肾上腺素受体调节的疾病的化合物和组合物。
• 6-(2-imidazolinylamino) quinoxaline compounds useful as .alpha.-2
  申请人：The Procter & Gamble Company

  公开号：US05834470A1

  公开（公告）日：1998-11-10

  The subject invention involves methods of treating nasal congestion comprising administration, to a human or lower animal in need of such treatment of a safe and effective amount of a compound having the following structure: ##STR1## wherein (a) R is unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl; and (b) R' is selected from hydrogen; unsubstituted C.sub.1 -C.sub.3 alkanyl or alkenyl, unsubstituted C.sub.1 -C.sub.3 alkylthio or alkoxy; hydroxy; thiol; and halo. The subject invention also involves the use of such compounds for preventing or treating other respiratory, ocular and/or gastrointestinal disorders.

  该专利涉及治疗鼻塞的方法，包括向需要此类治疗的人类或低等动物施用具有以下结构的化合物的安全有效量：其中（a）R为未取代的C.sub.1 -C.sub.3烷基或烯基；和（b）R'从氢；未取代的C.sub.1 -C.sub.3烷基或烯基，未取代的C.sub.1 -C.sub.3硫代烷基或烷氧基；羟基；硫醇；和卤素中选择。该专利还涉及利用这些化合物预防或治疗其他呼吸道、眼部和/或胃肠道疾病。
• Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists
  申请人：——

  公开号：US20010000345A1

  公开（公告）日：2001-04-19

  This invention involves compounds having the following structure: 1 as described in the Claims; and enantiomers, optical isomers, stereoisomers, diastereomers, tautomers, addition salts, biohydrolyzable amides and esters thereof, as well as pharmaceutical compositions comprising such novel compounds. The invention also relates to the use of such compounds for preventing or treating disorders modulated by alpha-2 adrenoceptors.

  本发明涉及具有以下结构的化合物：1如权利要求所述；以及其对映异构体、光学异构体、立体异构体、顺反异构体、互变异构体、加合物盐、生物可水解酰胺和酯，以及包含这些新型化合物的药物组合物。本发明还涉及使用这些化合物预防或治疗通过α-2肾上腺素受体调节的疾病。