3-氯-5-氟异烟酸 | 514798-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-氯-5-氟异烟酸
• 英文名称: 3-chloro-5-fluoroisonicotinic acid
• 英文别名: 3-chloro-5-fluoropyridine-4-carboxylic acid
• CAS: 514798-03-9
• 化学式: C₆H₃ClFNO₂
• 分子量: 175.547
• InChiKey: APKYTXKVPCYUOG-UHFFFAOYSA-N

物化性质

• 沸点：
  348.2±37.0 °C(Predicted)
• 密度：
  1.576±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H311,H331
• 包装等级：
  III

反应信息

• 作为反应物：
  描述：

  3-氯-5-氟异烟酸 在 氯化亚砜 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.17h， 生成 (3-chloro-5-fluoropyridin-4-yl)methanol
  参考文献：
  名称：

  [EN] TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5
  [FR] MODULATEURS TÉTRAHYDRO-BENZOIMIDAZOLYLES DE TGR5

  摘要：

  本发明包括式（I）的化合物。其中：R1、R2、R3、R4、R5、R6、R7、R8、X、Z1和Z2在规范中定义。

  公开号：

  WO2015160772A1
• 作为产物：
  描述：

  2-溴-3-氟-5-氯吡啶 在 sodium hydroxide 、 正丁基锂 、 锌 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 8.0h， 生成 3-氯-5-氟异烟酸
  参考文献：
  名称：

  Creating Structural Manifolds from a Common Precursor: Basicity Gradient-Driven Isomerization of Halopyridines

  摘要：

  5-Chloro-2,3-difluoropyridine, an intermediate in the manufacturing process of an industrial pesticide, can be hydrolyzed to 5-chloro-3-fluoro-2H-pyridinone and the latter converted into 2,5-dichloro-3-fluoropyridine (1a), 2-bromo-5chloro-3-fluoropyridine (1b), 5-chloro-3-fluoro-2-iodopyridine (1c) and 3-chloro-5-fluoropyridine (1d). Consecutive treatment of these four substrates with lithium diisopropylamide and carbon dioxide or lithium diisopropylamide and iodine affords the corresponding 4-pyridinecarboxylic acids 2 and 4-iodopyridines 3, respectively. Amide-promoted deprotonation of such 4-iodopyridines 3 triggers an isomerization in which lithium and iodine change places. The resulting species can be trapped with carbon dioxide to give the acids 5a-c or neutralized to give the halopyridines 4a-c. The iodopyridines 4a and 4b can be converted into the acids 6a and 6b, the latter product leading also to the congeners 6c and 6d. The diiodopyridine 4c provides an entry to the halopyridine 4d, which at the same time may act as the precursor to the acid 5d, the acid 7 or the bisacid 8. Finally, the acid 9 is accessible from either one of the 5-chloro-3-fluoro-2-halopyridines 1b and 1c. (C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2002).

  DOI：

  10.1002/1099-0690(200212)2002:24<4174::aid-ejoc4174>3.0.co;2-6

文献信息

• [EN] EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE INHIBANT EIF4E
  申请人：EFFECTOR THERAPEUTICS INC

  公开号：WO2021003157A1

  公开（公告）日：2021-01-07

  The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula I, or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof. For Formula I compounds X1, X2, X3, X4, X5, X6, Q, L1, L2, Y, R1, R2, R3, R4, R5, R6, R7, R8 and rings A, B and C are as defined in the specification. The inventive Formula I compounds are inhibitors of eIF4e and find utility in any number of therapeutic applications, including but not limited to treatment of inflammation and various cancers.

  本发明提供了根据式I合成的化合物、药用可接受的配方和用途，或其立体异构体、互变异构体或药用可接受的盐。对于式I化合物，X1、X2、X3、X4、X5、X6、Q、L1、L2、Y、R1、R2、R3、R4、R5、R6、R7、R8和环A、B和C的定义如规范中所述。创新的式I化合物是eIF4e的抑制剂，并在许多治疗应用中发挥作用，包括但不限于治疗炎症和各种癌症。
• Monoacylglycerol Lipase Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US20200102311A1

  公开（公告）日：2020-04-02

  Bridged compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. wherein R 2 , R 3 R 4 , R 5 and R 6 are defined herein.

  桥接化合物，其结构式为(I)和(II)，包含它们的药物组合物，制造它们的方法，以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、障碍和状况的方法，如与疼痛、精神障碍、神经障碍（包括但不限于重性抑郁障碍、难治性抑郁、焦虑性抑郁、双相情感障碍）、癌症和眼科疾病相关的方法。 其中R2、R3、R4、R5和R6的定义如下。
• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• Conjugate Addition - SNAr Domino Reaction for the Synthesis of Benzo- or Pyridyl-Fused Lactams and Sultams
  作者：Karsten Juhl、Niels Nørager

  DOI：10.1055/s-0030-1258302

  日期：2010.12

  A versatile domino reaction that can be used for the synthesis of bicyclic benzo- or pyridyl-fused lactam and sultam derivatives is presented, enabling rapid synthesis of a variety of complex structures.

  提出了一种多功能多米诺反应，可用于合成双环苯或吡啶融合的内酰胺和内硫酸酯衍生物，使得多种复杂结构的快速合成成为可能。
• [EN] KINASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE KINASES ET LEURS UTILISATIONS
  申请人：ABM THERAPEUTICS CORP

  公开号：WO2022133040A1

  公开（公告）日：2022-06-23

  Provided are kinases inhibitors, pharmaceutical compositions comprising such compounds, and methods of using such compounds or compositions, such as methods of treating a proliferation disorder, such as a cancer or a tumor, or in some embodiments disease or disorders related to the dysregulation of kinase such as, but not limited to kinases such as MEK, COT1, FGFR4, MINK, MYO3A, PKG1B, and PLK3.

  提供了激酶抑制剂、包含这些化合物的药物组合物以及使用这些化合物或组合物的方法，例如治疗增殖性疾病的方法，例如癌症或肿瘤，或在某些实施例中与激酶失调相关的疾病或疾病，例如但不限于MEK、COT1、FGFR4、MINK、MYO3A、PKG1B和PLK3等激酶。