3-nitrobiphenyl-4-carboxylic acid | 99847-13-9

• 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-nitrobiphenyl-4-carboxylic acid
• 英文别名: 4-phenyl-2-nitrobenzoic acid；3-nitro-biphenyl-4-carboxylic acid；3-Nitro-biphenyl-4-carbonsaeure；3-nitro-4-biphenyl-carboxylic acid；2-Nitro-4-phenylbenzoic acid
• CAS: 99847-13-9
• 化学式: C₁₃H₉NO₄
• 分子量: 243.219
• InChiKey: WOVWEENDIKEWML-UHFFFAOYSA-N

物化性质

• 沸点：
  435.3±45.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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-nitrobiphenyl-4-carboxylic acid 在 10 wt% Pd(OH)2 on carbon 、 氢气 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 16.0h， 生成 2-氨基-4-苯基苯甲酸甲酯
  参考文献：
  名称：

  Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors

  摘要：

  A novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors were derived from a fragment-based approach using information from X-ray crystallographic analysis of NS5B-inhibitor complexes and iterative rounds of parallel synthesis. Structure-based drug design strategies led to the discovery of potent sub-micromolar inhibitors 11a-c and 12a-c from a weak-binding fragment-like structure 1 as a starting point. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.110
• 作为产物：
  描述：

  3-硝基联苯 在 sodium perborate 、 potassium tert-butylate 、 水 、 silver trifluoromethanesulfonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 16.0h， 生成 3-nitrobiphenyl-4-carboxylic acid
  参考文献：
  名称：

  Discovery of potent and stable conformationally constrained analogues of the MCH R1 antagonist SB-568849

  摘要：

  A strategy of systematically targeting more rigid analogues of the known MCH R1 receptor antagonist, SB-568849, serendipitously uncovered a binding mode accessible to N-aryl-phthalimide ligands. Optimisation to improve the stability of this compound class led to the discovery of novel N-aryl-quinazolinones, benzotriazinones and thienopyrimidinones as selective ligands with good,affinity for human melanin-concentrating hormone receptor 1. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.061

文献信息

• New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20040242572A1

  公开（公告）日：2004-12-02

  The present invention relates to carboxamide compounds of general formula I 1 wherein the groups and residues A, B, W, X, Y, Z, R 1 , R 2 , R 3 and k have the meanings given in claim 1. Moreover the invention relates to process for preparing the above mentioned carboxamides as well as pharmaceutical compositions containing at least one carboxamide according to the invention. In view of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及具有通式I的羧酰胺化合物 1 其中，A、B、W、X、Y、Z、R 1 、R 2 、R 3 和k的含义如权利要求1中所述。此外，本发明还涉及制备上述羧酰胺的方法以及含有至少一种根据本发明的羧酰胺的药物组合物。由于它们对MCH受体的拮抗活性，根据本发明的药物组合物适合用于治疗代谢紊乱和/或饮食紊乱，特别是肥胖症、厌食症、暴食症、糖尿病。
• Palladium(0)-Catalyzed Intramolecular Decarboxylative Allylation of Ortho Nitrobenzoic Esters
  作者：Asik Hossian、Shantanu Singha、Ranjan Jana

  DOI：10.1021/ol5017349

  日期：2014.8.1

  developed for the decarboxylative allylation of ortho-nitrobenzoic esters in an intramolecular fashion. In contrast to the typical sp2–sp3 cross-coupling approach which requires air and moisture sensitive preformed organometallic reagents, we provide an alternative route to the synthesis of ortho-allyl nitroarenes from the corresponding ortho-nitrobenzoic acid derivatives. The reaction proceeds through

  已经开发了一种Pd / Ag双金属体系，用于以分子内方式对邻硝基苯甲酸酯进行脱羧烯丙基化。与典型的sp 2 –sp 3交叉偶联方法需要空气和水分敏感的预制有机金属试剂相反，我们提供了从相应的邻硝基硝基苯甲酸衍生物合成邻烯丙基硝基芳烃的另一种途径。该反应通过机械上独特的脱羧金属化途径进行。钯和银的协同反应性对于反应结果至关重要。
• Copper-catalyzed oxidative decarboxylative C–H arylation of benzoxazoles with 2-nitrobenzoic acids
  作者：Lijun Chen、Lin Ju、Katelyn A. Bustin、Jessica M. Hoover

  DOI：10.1039/c5cc06645j

  日期：——

  A copper-catalyzed oxidative decarboxylative coupling of benzoxazoles with 2-nitrobenzoic acids was developed. This methodology favors electron-rich benzoxazoles and electron-deficient benzoic acids and enables the preparation of a variety of arylated...

  建立了铜催化的苯并恶唑与2-硝基苯甲酸的氧化脱羧偶联反应。这种方法学偏爱富含电子的苯并恶唑和缺乏电子的苯甲酸，并能够制备各种芳基化的...
• [EN] FUNCTIONALIZED AND MULTIVARIATE BTB-BASED METAL ORGANIC FRAMEWORKS<br/>[FR] STRUCTURES DE SQUELETTES ORGANOMÉTALLIQUES À BASE DE BTB À PLUSIEURS VARIABLES ET FONCTIONNALISÉS
  申请人：UNIV CALIFORNIA

  公开号：WO2015157239A1

  公开（公告）日：2015-10-15

  The disclosure provides for metal organic frameworks (MOFs) which comprise a plurality of SBUs linked together by functionalized or multivariate BTB-based linking ligands. The disclosure further provides for the use of these MOFs in variety of applications, including for gas separation, gas storage, catalysis, and separation of compounds or bioproducts.

  该披露提供了一种金属有机框架（MOFs），其包括通过功能化或多元BTB基连接配体连接在一起的多个SBUs。该披露进一步提供了这些MOFs在各种应用中的使用，包括用于气体分离、气体储存、催化和化合物或生物产品的分离。
• Lactam derivatives as antagonists for human 11cby receptors
  申请人：Armstrong Anne Sula

  公开号：US20050059651A1

  公开（公告）日：2005-03-17

  The invention provides compounds of formula (I) a salt, or solvate thereof.

  该发明提供了式(I)的化合物，其盐或溶剂。