3-(4-chlorobenzoyl)-2-pyridinecarboxylic acid | 91692-76-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-chlorobenzoyl)-2-pyridinecarboxylic acid
• 英文别名: 3-(p-chlorobenzoyl)-picolinic acid；3-(4-chloro-benzoyl)-pyridine-2-carboxylic acid；3-(4-Chlor-benzoyl)-pyridin-2-carbonsaeure；3-(p-Chlorbenzoyl)-picolinsaeure；3-(4-chlorobenzoyl)pyridine-2-carboxylic acid
• CAS: 91692-76-1
• 化学式: C₁₃H₈ClNO₃
• 分子量: 261.664
• InChiKey: DHIRVAPHUGSOLZ-UHFFFAOYSA-N

物化性质

• 熔点：
  157.5-158.5 °C
• 沸点：
  501.0±45.0 °C(Predicted)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-chlorobenzoyl)-2-pyridinecarboxylic acid 在 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 生成 5-(4-chlorophenyl)-7-oxo-5,7-dihydrofuro[3,4-b]pyridine-5-carboxamide
  参考文献：
  名称：

  Imidazo-isoquinolin-5-one derivatives, pyrimido-isoquinolin-6-one derivatives and imidazo-naphthyridin-5-one derivatives

  摘要：

  提供具有以下结构的抗动脉粥样硬化化合物：其中：R为氢、较低的烷基、烯基、炔基、芳基、杂环芳基，或者芳基或杂环芳基，其上取代一个或多个由烷基、羟基、烷氧基、全氟烷基、全氟烷氧基、烷硫基、硝基、氨基、单烷基或二烷基氨基以及卤素组成的基团；D为C—H、与R5或氮相结合的碳；R1、R2、R3和R4各自独立地为氢、烷基，或者共同形成一个环；R5为氢、烷基、烯基、炔基、芳基、羟基、烷氧基、全氟烷基、全氟烷氧基、烷硫基、硝基、氨基、单烷基或二烷基氨基，或卤素中的一个或多个基团；n为0-3的整数；或其药用盐。

  公开号：

  US20020061900A1
• 作为产物：
  描述：

  2,3-吡啶二羧酸酐 、 氯苯 在 三氯化铝 作用下， 反应 6.0h， 以68%的产率得到3-(4-chlorobenzoyl)-2-pyridinecarboxylic acid
  参考文献：
  名称：

  来自邻芳基吡啶羧酸的异构吡啶并恶嗪酮、吡啶并吡啶和三唑并吡啶并吡啶的合成

  摘要：

  在我们之前的工作中，'-，我们研究了 N-羟基喹啉酰亚胺作为合成含有吡啶部分的稠合杂环系统的起始材料的化学性质。从文献中还知道，喹啉酐 (1) 与无水氯化铝在苯、甲苯和氯苯中反应生成相应的 3-芳酰基-2-吡啶羧酸 2；没有一种异构体 2-芳酰基-3-吡啶羧酸 3 可以分离。本研究涉及使用酸 2 和 3 通过另一种新途径合成异构吡啶并恶嗪衍生物和一些相关化合物。 因此，喹啉酸酐 (1) 与无水 AlCl 在苯、甲苯和氯苯中的反应是重复的，并且也在苯甲醚中进行，以 61-71% 的产率产生 2a-d。正如之前报道的那样，没有得到相应的2-芳酰基-3-吡啶羧酸3。2a-d的结构经光谱证实(IR、H-NMR和MS；表2)。质谱 7~* 显示 (M+-CO,H) 和不存在 (M+-OH)，这表明这些化合物存在于开放结构中。2d 的结构也是通过热脱羧为 3-（泛异酰基）吡啶建立的，与通过烟酰氯与苯甲醚的

  DOI：

  10.1080/00304940509354954

文献信息

• Heterocyclic compounds, their production and use
  申请人：——

  公开号：US20020132817A1

  公开（公告）日：2002-09-19

  A compound represented by the formula: 1 wherein ring M is a heterocyclic ring wherein —X═Y< is one of —N═C<, —CO—N< or —CS—N<; R a and R b are bonded to each other to form Ring A, or they are the same or different and represent, independently, a hydrogen atom or a substituent on the Ring M; Ring A and Ring B represent, independently, an optionally substituted homocyclic or heterocyclic ring, with the proviso that at least one of them is an optionally substituted heterocyclic ring; Ring C is an optionally substituted homocyclic or heterocyclic ring; Ring Z is an optionally substituted nitrogen-containing heterocyclic ring; and n is an integer from 1 to 6, or a salt thereof has a tachykinin receptor antagonistic activity in vitro, and is useful for preventing or treating depression, anxiety, manic-depressive illness or psychopathy.

  一种由以下通式表示的化合物：1，其中环M为杂环环，其中—X═Y<为—N═C<、—CO—N<或—CS—N<之一；Ra和Rb彼此连接形成环A，或者它们相同或不同，独立地表示氢原子或环M上的取代基；环A和环B独立地表示可任选取代的碳环或杂环环，条件是至少一个为可任选取代的杂环环；环C为可任选取代的碳环或杂环环；环Z为可任选取代的含氮杂环环；n为1至6的整数，或其盐在体外具有速激肽受体拮抗活性，并可用于预防或治疗抑郁症、焦虑症、双相情感障碍或精神病。
• DRUGS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1145714A1

  公开（公告）日：2001-10-17

  The present invention relates to a medicine which comprises a compound (I) of the formula: [wherein the ring M is a heterocylic ring having -N=C<, -CO-N< or -CS-N< as a partial structure ―X=Y〈, Ra and Rb are bound to each other to form the ring A, or they are the same or different each representing a hydrogen atom or a substituent on the ring M; the rings A and B each is an optionally substituted homocycle or heterocycle, and at least one of them is an optionally substituted heterocycle; the ring C is an optionally substituted homocycle or heterocycle; the ring Z is an optionally substituted nitrogen-containing heterocycle; and n is an integer of 1 to 6] or a salt thereof in combination with a drug having an emetic action. The compounds (I) or their salts are useful as anti-emetic drugs. Particularly, vomiting caused by drugs having an emetic action can be inhibited by these compounds rapidly and safely at a low dose.

  本发明涉及一种药物，该药物由式(I)化合物组成： [其中环 M 是杂环，具有-N＝C〈、-CO-N〈或-CS-N〈作为部分结构-X＝Y〈、 Ra 和 Rb 相互结合形成环 A，或者它们相同或不同，各自代表环 M 上的一个氢原子或一个取代基； 环 A 和环 B 各自是任选取代的均环或杂环，其中至少一个是任选取代的杂环； 环 C 是任选取代的均环或杂环 环 Z 是任选取代的含氮杂环；以及 n 是 1 至 6 的整数］ 或其盐与具有催吐作用的药物结合使用。 化合物 (I) 或其盐类可用作止吐药。特别是，具有催吐作用的药物引起的呕吐，可以通过这些化合物以低剂量快速安全地抑制。
• Heterocyclic compounds, their production and use as tachykinin receptor antagonists
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1184036A2

  公开（公告）日：2002-03-06

  A compound represented by the formula: wherein ring M is a heterocyclic ring wherein is one of -N=C<, -CO-N< or -CS-N<; Ra and Rb are bonded to each other to form Ring A, or they are the same or different and represent, independently, a hydrogen atom or a substituent on the Ring M; Ring A and Ring B represent, independently, an optionally substituted homocyclic or heterocyclic ring, with the proviso that at least one of them is an optionally substituted heterocyclic ring; Ring C is an optionally substituted homocyclic or heterocyclic ring; Ring Z is an optionally substituted nitrogen-containing heterocyclic ring; and n is an integer from 1 to 6, or a salt thereof has a tachykinin receptor antagonistic activity in vitro, and is useful for preventing or treating depression, anxiety, manic-depressive illness or psychopathy.

  式所代表的化合物： 其中环 M 是杂环，其中 是-N=C<、-CO-N<或-CS-N<中的一种； Ra 和 Rb 相互结合形成环 A，或者它们相同或不同，并独立地代表氢原子或环 M 上的取代基； 环 A 和环 B 独立地代表任选取代的同环或杂环，但其中至少有一个是任选取代的杂环； 环 C 是任选取代的均环或杂环； 环 Z 是任选取代的含氮杂环；以及 n 是 1 至 6 的整数，或其盐在体外具有速激肽受体拮抗活性，可用于预防或治疗抑郁症、焦虑症、躁狂抑郁症或精神病。
• The discovery of 1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-ones as a new class of respiratory syncytial virus (RSV) fusion inhibitors. Part 1
  作者：Silas Bond、Alistair G. Draffan、Jennifer E. Fenner、John Lambert、Chin Yu Lim、Bo Lin、Angela Luttick、Jeffrey P. Mitchell、Craig J. Morton、Roland H. Nearn、Vanessa Sanford、Pauline C. Stanislawski、Simon P. Tucker

  DOI：10.1016/j.bmcl.2014.11.018

  日期：2015.2

  Respiratory syncytial virus (RSV) is a major cause of respiratory tract infections in infants, young children and adults. Compound 1a (9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[ 2,1-a]isoindol-5-one) was identified as an inhibitor of A and B strains of RSV targeting the fusion glycoprotein. SAR was developed by systematic exploration of the phenyl (R-1) and benzoyl (R-2) groups. Furthermore, introduction of a nitrogen at the 8-position of the tricyclic core resulted in active analogues with improved properties (aqueous solubility, protein binding and logD) and excellent rat pharmacokinetics (e. g., rat oral bioavailability of 89% for compound 17). (C) 2014 Elsevier Ltd. All rights reserved.
• Design and synthesis of tricyclic derivatives as high density lipoprotein cholesterol enhancers
  作者：Hassan Elokdah、Sie-Yearl Chai、Douglas Ho、Theodore Sulkowski

  DOI：10.1016/s0960-894x(00)00668-5

  日期：2001.2

  A pharmacophore for increasing HDLC was proposed based on common structural features of non-thio-containing compounds with HDLC enhancing properties. A search of the compound database identified various series of these non-thio-containing compounds, including a novel tricyclic imidazoisoquinolone. Preparation of 1-aryl-3-oxo-1,3- dihydro-2-benzofuran-1-carbooxamides using a novel and widely applicable one-step process from 2-acyl benzoic acids is reported. Reaction of diamines with 1-aryl-3-oxo-1,3-dihydro-2-benzofuran-1-carboxamides and related aza-analogues proceeded with regio-control to furnish imidazoisoquinolones, pyrimidoisoquinolones, and imidazonaphthqridines. NMR studies and X-ray crystallography confirmed the regiochemistry of the products. Compounds of these series increased concentrations of HDLC in test animals following oral administration. (C) 2001 Elsevier Science Ltd. All rights reserved.