1,4-Benzodiazepine | 264-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1,4-Benzodiazepine
• 英文别名: 1H-1,4-benzodiazepine
• CAS: 264-64-2
• 化学式: C₉H₈N₂
• 分子量: 144.17
• InChiKey: GUJAGMICFDYKNR-UHFFFAOYSA-N

物化性质

• 沸点：
  255.1±40.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)
• 保留指数：
  1589

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[2-(5-chloro-2,3-dihydro-1H-indol-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide 、 1,4-Benzodiazepine 在 6-(4-methyl-1-piperazinyl)-4-chloro-1,2-dihydrobenzo[b]3,2,1-jk 作用下， 生成 4-chloro-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine
  参考文献：
  名称：

  Benzopyrrolobenzodiazepines and quinobenzodiazepines

  摘要：

  本发明涉及公式为##STR1##的苯并吡咯苯并二氮杂环己烷和喹诺苯并二氮杂环己烷。其中，X和Y可以相同也可以不同，每个都是氢、卤素、CF.sub.3、低烷基、低烷氧基、低烷基硫基和低烷基磺酰基，p和q独立地为1或2；当R.sub.2与R.sub.3结合形成--(CH.sub.2).sub.m--CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.1为氢；当R.sub.1与R.sub.2结合形成--(CH.sub.2).sub.m--CH.sub.2--基团或--CH.dbd.CH--基团时，R.sub.3为氢；m为1或2；R.sub.4为NR.sub.5R.sub.6，其中R.sub.5为氢或低烷基，R.sub.6为氢、低烷基或(CH.sub.2).sub.nNR.sub.7R.sub.8基团，其中R.sub.7和R.sub.8为低烷基，n为2或3，##STR2##其中R.sub.9为低烷基，##STR3##其中R.sub.10为CH.sub.2CH.sub.2OH、低烷基、苯基、卤代苯基、CF.sub.3、低烷氧基或低烷基硫基取代的苯基、苄基、卤代苄基、CF.sub.3、低烷氧基或低烷基硫基取代的苄基或CO.sub.2R.sub.11，其中R.sub.11为低烷基，或其药学上可接受的酸盐。

  公开号：

  US04764616A1
• 作为产物：
  描述：

  8-chloro-6-(2-chlorophenyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carboxaldehyde 在 三(三苯基膦)氯化铑(I) 8-chloro-6-phenyl-2,4-dimethyl 作用下， 以 苯 为溶剂， 反应 6.0h， 以to give 8-chloro-6-phenyl-2,4-dimethyl-4H-imidazo[1,2-a][1,4-benzodiazepine, which的产率得到1,4-Benzodiazepine
  参考文献：
  名称：

  2-(2-Alkynylamino)-3H-1,4-benzodiazepines

  摘要：

  本发明涉及6-取代的4H-咪唑[1,2-a][1,4]苯并二氮平衍生物，中间体5-取代的2-(2-炔基氨基)-3H-1,4-苯并二氮平衍生物，以及其药理学上可接受的酸加成盐和其生产方法。该发明化合物及其药理学上可接受的酸加成盐是中枢神经系统抑制剂。它们可用作镇静剂、催眠剂、安定剂、肌肉松弛剂和抗惊厥剂，也可用作饲料添加剂，以增加家畜和禽类的生长速度和饲料效率，哺乳动物种类的产奶量和禽类的产蛋量。

  公开号：

  US03933794A1

文献信息

• Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds
  申请人：——

  公开号：US20030065187A1

  公开（公告）日：2003-04-03

  The present invention relates to copper-catalyzed carbon-heteroatom and carbon-carbon bond-forming methods. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of an amide or amine moiety and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In additional embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between a nitrogen atom of an acyl hydrazine and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In other embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-nitrogen bond between the nitrogen atom of a nitrogen-containing heteroaromatic, e.g., indole, pyrazole, and indazole, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. In certain embodiments, the present invention relates to copper-catalyzed methods of forming a carbon-oxygen bond between the oxygen atom of an alcohol and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. The present invention also relates to copper-catalyzed methods of forming a carbon-carbon bond between a reactant comprising a nucleophilic carbon atom, e.g., an enolate or malonate anion, and the activated carbon of an aryl, heteroaryl, or vinyl halide or sulfonate. Importantly, all the methods of the present invention are relatively inexpensive to practice due to the low cost of the copper comprised by the catalysts.

  本发明涉及铜催化的碳-杂原子和碳-碳键形成方法。在某些实施例中，本发明涉及铜催化的方法，用于在酰胺或胺基团的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在其他实施例中，本发明涉及铜催化的方法，用于在酰基肼的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在另一些实施例中，本发明涉及铜催化的方法，用于在含氮杂环芳烃（例如吲哚、吡唑和吲哌）的氮原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氮键。在某些实施例中，本发明涉及铜催化的方法，用于在醇的氧原子与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-氧键。本发明还涉及铜催化的方法，用于在包含亲核碳原子的反应物（例如烯醇酸盐或丙二酸盐负离子）与芳基、杂原基或乙烯卤代物或磺酸酯的活化碳之间形成碳-碳键。重要的是，由于催化剂中铜的低成本，本发明的所有方法都相对廉价。
• Alprazolam inclusion complexes and pharmaceutical composition thereof
  申请人：Penkler John Lawrence

  公开号：US20050222086A1

  公开（公告）日：2005-10-06

  A pharmaceutical composition an inclusion complex and methods for treating patients and preparing said complex disclosed for transmucosal delivery comprising an inclusion complex of (a) alprazolam and (b) a water soluble 2-hydroxypropyl-beta-cyclodextrin, and a pharmaceutically acceptable carrier therefor, wherein all the alprazolam is present in ring-closed form.

  一种药物组合物和治疗患者以及制备该复合物的方法被揭示，用于经粘膜途径给药，包括阿普唑仑和水溶性2-羟丙基-β-环糊精的包含复合物，以及其药用可接受载体，其中所有的阿普唑仑以环闭合形式存在。
• [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF CLOBAZAM AND ITS INTERMEDIATE<br/>[FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION DE CLOBAZAM ET SON INTERMÉDIAIRE
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2016151464A1

  公开（公告）日：2016-09-29

  The present invention provides an improved process for the preparation of 8-chloro-1-phenyl- 1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione (hereafter referred to as the compound (IV)), which is useful as a key intermediate for the synthesis of Clobazam (referred to as the compound (I)) 7-chloro-1-methyl-5-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione. The process of the present invention further involves transformation of the compound (IV) into Clobazam (I), comprising (a) reacting the compound (II) (as described herein) with monoalkyl malonate in the presence of a coupling agent to obtain the compound (III) (as described herein); followed by the cyclization using a base; (b) reacting the compound-IV (as described herein) obtained from step (a) with methylating agent. The process of the present invention involves formation of novel intermediates methyl 3-((4- chloro-2-(phenylamino)phenyl)amino)-3-oxopropanoate (IlIa) and 3-((4-chloro-2- (phenylamino)phenyl)amino)-3-oxopropanoic acid (V).

  本发明提供了一种改进的制备8-氯-1-苯基-1H-苯并[b][1,4]二氮杂环-2,4(3H,5H)-二酮（以下简称为化合物（IV））的过程，该过程用作合成氯硝安（简称为化合物（I））7-氯-1-甲基-5-苯基-1H-苯并[b][1,4]二氮杂环-2,4(3H,5H)-二酮的关键中间体。本发明的过程还涉及将化合物（IV）转化为氯硝安（I），包括(a)在偶联剂存在下将化合物（II）（如本文所述）与单烷基马隆酸酯反应，以获得化合物（III）（如本文所述）；随后使用碱进行环化；(b)将从步骤(a)中获得的化合物-IV（如本文所述）与甲基化试剂反应。本发明的过程涉及新型中间体甲基3-((4-氯-2-(苯胺基)苯基)氨基)-3-氧代丙酸酯（IlIa）和3-((4-氯-2-(苯胺基)苯基)氨基)-3-氧代丙酸（V）的形成。
• Tetraazabenzo[e]azulene derivatives and analogs thereof
  申请人：Elliott L. Richard

  公开号：US20050267100A1

  公开（公告）日：2005-12-01

  This invention relates to CCK-A agonists of Formula (I) wherein R 1 -R 4 , A, B, X, D, E and G are as defined in the specificiation, as well as, among other things, pharmaceutical compositions containing the compounds and methods of use of the compounds and compositions. The compounds are useful in treating obesity.

  这项发明涉及公式（I）中的CCK-A激动剂， 其中R1-R4，A，B，X，D，E和G如规范中所定义，以及包含这些化合物的药物组合物和这些化合物和组合物的使用方法。这些化合物在治疗肥胖症方面是有用的。
• Alpha V integrin receptor antagonists
  申请人：——

  公开号：US20010053853A1

  公开（公告）日：2001-12-20

  The present invention relates to novel alkanoic acid derivatives thereof, their synthesis, and their use as &agr;v integrin receptor antagonists. More particularly, the compounds of the present invention are antagonists of the integrin receptors &agr;v&bgr;3 and/or &agr;v&bgr;5 and are useful for inhibiting bone resorption, treating and preventing osteoporosis, and inhibiting vascular restenosis, diabetic retinopathy, macular degeneration, angiogenesis, atherosclerosis, inflammatory arthritis, cancer, and metastatic tumor growth.

  本发明涉及新型烷基酸衍生物，其合成以及它们作为αv整合素受体拮抗剂的用途。更具体地说，本发明的化合物是αvβ3和/或αvβ5整合素受体的拮抗剂，可用于抑制骨吸收，治疗和预防骨质疏松症，并抑制血管再狭窄、糖尿病视网膜病变、黄斑变性、血管生成、动脉粥样硬化、炎症性关节炎、癌症和转移性肿瘤生长。