5-(4'-methylphenyl)isophthalic acid | 1046151-11-4

• 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: 5-(4'-methylphenyl)isophthalic acid
• 英文别名: [1,1'-Biphenyl]-3,5-dicarboxylic acid, 4'-methyl-；5-(4-methylphenyl)benzene-1,3-dicarboxylic acid
• CAS: 1046151-11-4
• 化学式: C₁₅H₁₂O₄
• 分子量: 256.258
• InChiKey: VLHCBYKYPDIQQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4'-methylphenyl)isophthalic acid 、 nickel(II) acetate tetrahydrate 、 1,2-双吡啶基乙烯 以 水 为溶剂， 反应 72.0h， 以41%的产率得到
  参考文献：
  名称：

  Syntheses, Structures, and Properties of Two New Coordination Frameworks Based on 5-(4′-Methylphenyl) Isophthalate and Two N-Donor Coligands

  摘要：

  Two new coordination polymers, {[Co(CH3C6H4-ip)(btp)]center dot 2H(2)O} (n) , (1) and {[Ni(CH3C6H4-ip)(bpe)]} (n) (2) (CH3C6H4-H(2)ip = 5-(4-methylphenyl)isophthalic acid, btp = 1,3-bi(1,2,4-triazol-1-yl)propane, bpe = 1,2-bi(4-pyridyl) ethene), have been obtained under hydrothermal conditions. Complexes 1 and 2 were determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis and IR spectroscopy. Complexes 1 and 2 exhibit different two-dimensional (2D) three-dimensional (3D) polythreaded networks based on 2D corrugated layers that are connected by CH3C6H4-ip and N-donor coligands. Furthermore, thermogravimetric properties of 1 and 2 were also investigated. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.

  DOI：

  10.1080/15533174.2012.751416
• 作为产物：
  描述：

  5-溴异肽酸二甲基酯 在 四(三苯基膦)钯 水 、 caesium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 甲苯 为溶剂， 反应 6.0h， 生成 5-(methoxycarbonyl)-4'-methylbiphenyl-3-carboxylic acid 、 5-(4'-methylphenyl)isophthalic acid
  参考文献：
  名称：

  [EN] AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF
  [FR] COMPOSÉS AMIDES, COMPOSITIONS À BASE DE CES COMPOSÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2009110985A3

文献信息

• ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES
  申请人：HAMILTON Andrew

  公开号：US20110064694A1

  公开（公告）日：2011-03-17

  The present invention relates to porphyrin analogues, their use in pharmaceutical compositions alone, or combination with other agents and in the treatment and/or prophylaxis of flaviviridae viral infections, especially hepatitis C viral infection, and secondary disease states and/or conditions associated with same.

  本发明涉及卟啉类似物，它们在药物组合物中的使用，或与其他药剂联合使用，并用于治疗和/或预防黄病毒科病毒感染，特别是丙型肝炎病毒感染，以及与其相关的继发性疾病状态和/或条件。
• AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF
  申请人：Wei Zhi-Liang

  公开号：US20110065681A1

  公开（公告）日：2011-03-17

  Compounds are provided according to formula 1: where A, B, W, X′, L, R 1 , R 3 , R 4b , and m′ are as defined herein. Provided compounds and pharmaceutical compositions thereof are useful for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, cognitive disorders, anxiety, depression, and others.

  根据公式1提供化合物，其中A、B、W、X'、L、R1、R3、R4b和m'的定义如本文所述。提供的化合物及其制剂在哺乳动物，包括人类中，用于预防和治疗各种疾病，例如疼痛、炎症、认知障碍、焦虑、抑郁症等，但不限于此。
• COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS
  申请人：Janetka James W.

  公开号：US20120309701A1

  公开（公告）日：2012-12-06

  The present invention encompasses compounds and methods for treating urinary tract infections.

  本发明涵盖了治疗尿路感染的化合物和方法。
• POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS
  申请人：MERCK PATENT GMBH

  公开号：US20140375943A1

  公开（公告）日：2014-12-25

  The present invention relates to polymerizable compounds, to processes and intermediates for the preparation thereof, to liquid-crystal (LC) media comprising them, and to the use of the polymerizable compounds and LC media for optical, electro-optical and electronic purposes, in particular in LC displays, especially in LC displays of the PSA (“polymer sustained alignment”) type.

  本发明涉及可聚合化合物、其制备过程和中间体、包含它们的液晶（LC）介质，以及将可聚合化合物和LC介质用于光学、电光和电子目的的使用，特别是在LC显示器中，特别是在PSA（“聚合物持续定向”）类型的LC显示器中。
• Amide Compounds, Compositions And Uses Thereof
  申请人：Wei Zhi-Liang

  公开号：US20150266822A1

  公开（公告）日：2015-09-24

  Compounds are provided according to formula 1: where A, B, W, X′, L, R 1 , R 3 , R 4b , and m′ are as defined herein. Provided compounds and pharmaceutical compositions thereof are useful for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, cognitive disorders, anxiety, depression, and others.

  化合物根据公式1提供：其中A、B、W、X'、L、R1、R3、R4b和m'的定义如本文所述。提供的化合物及其制剂在哺乳动物中包括人类的预防和治疗多种病症方面有用，例如但不限于疼痛、炎症、认知障碍、焦虑、抑郁等。