4-氟吡啶-2-甲酸 | 886371-78-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: 4-氟吡啶-2-甲酸
• 中文别名: 4-氟甲酸吡啶；4-氟-2-吡啶甲酸
• 英文名称: 4-fluoropyridine-2-carboxylic acid
• 英文别名: 4-fluoropicolinic acid；4-fluoropyridin-2-carboxylic acid
• CAS: 886371-78-4
• 化学式: C₆H₄FNO₂
• mdl: MFCD07374895
• 分子量: 141.102
• InChiKey: DOJINJNLDNIFBN-UHFFFAOYSA-N

物化性质

• 沸点：
  292.3±20.0 °C(Predicted)
• 密度：
  1.419

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 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

• 危险等级：
  IRRITANT
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温下保存于惰性气体中

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-fluoropyridine-2-carboxylic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-fluoropyridine-2-carboxylic acid
CAS number: 886371-78-4

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H4FNO2
Molecular weight: 141.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氟吡啶-2-甲酸 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-methoxy-N-(5-(pyrimidin-5-yloxy)pyridin-3-yl)picolinamide trifluoroacetate
  参考文献：
  名称：

  [EN] SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME
  [FR] ANALOGUES D'HÉTÉROARYLAMINE CARBOXAMIDE SUBSTITUÉ UTILISÉS COMME MODULATEURS ALLOSTÉRIQUES NÉGATIFS DE MGLUR5, LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION

  摘要：

  本文揭示了代谢型谷氨酸受体亚型5（mGluR5）的负性别构调节剂；制备这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和组合物治疗与谷氨酸功能障碍相关的神经病学和精神疾病的方法。本摘要旨在作为特定领域搜索的扫描工具，并不限制本发明的范围。

  公开号：

  WO2011035174A1
• 作为产物：
  描述：

  2-吡啶甲酸 在 C₃₈H₄₃CrN₄O₆ 、 cesium fluoride 、 过氧化苯甲酰 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以93%的产率得到4-氟吡啶-2-甲酸
  参考文献：
  名称：

  一种2-氨基-4-氟吡啶的合成方法

  摘要：

  本发明公开了一种2‑氨基‑4‑氟吡啶的合成方法，具体包括以下步骤：步骤1，以2‑吡啶羧酸为原料，在催化剂、氟化物和氧化剂的存在下，反应得到4‑氟吡啶‑2‑甲酸；步骤2，4‑氟吡啶‑2‑甲酸与氯甲酸酯、有机碱、氨源等反应生成4‑氟吡啶‑2‑甲酰胺；步骤3，4‑氟吡啶‑2‑甲酰胺经过霍夫曼酰胺降级反应得到2‑氨基‑4‑氟吡啶；由价廉以得的2‑吡啶羧酸为原料，通过较少的3步实现了2‑氨基‑4‑氟吡啶的合成。反应过程中所用试剂廉价易得，且反应过程中步骤短、操作简便、收率高、操作安全、无污染，适合工业化生产。

  公开号：

  CN112552233A

文献信息

• Ligand‐Enabled δ‐C(sp ³ )−H Borylation of Aliphatic Amines
  作者：Hediyala B. Chandrashekar、Pravas Dolui、Bijin Li、Astam Mandal、Hao Liu、Srimanta Guin、Haibo Ge、Debabrata Maiti

  DOI：10.1002/anie.202105204

  日期：2021.8.9

  Directed C−H functionalization has been realized as a complimentary technique to achieve borylation at a distal position of aliphatic amines. Here, we demonstrated the oxidative borylation at the distal δ-position of aliphatic amines using various borylating agents, a palladium catalyst, and a rightly tuned ligand in the presence of a cheap oxidant. Moreover, an organopalladium δ-C(sp3)-H-activated

  定向 CH 官能化已被实现为一种互补技术，可在脂肪胺的远端位置实现硼酸化。在这里，我们在廉价氧化剂的存在下，使用各种硼酸化剂、钯催化剂和正确调整的配体证明了脂肪胺远端 δ 位的氧化硼酸化。此外，有机钯 δ-C(sp 3 )-H 活化的中间体已被分离和晶体学表征以获得机械洞察力。
• [EN] COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF<br/>[FR] COMPOSÉS EN TANT QU'ANTAGONISTES DE CRTH2 ET UTILISATIONS DE CEUX-CI
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2016037591A1

  公开（公告）日：2016-03-17

  The compounds of Formula (I) which can be used as CRTH2 receptor antagonists are provided. The compounds of Formula (I) can be used in the treatment and prevention of asthma, allergic rhinitis and atopic dermatitis, as well as other diseases mediated by prostaglandin D2 (PGD2) at the CRTH2 receptor.

  提供可用作CRTH2受体拮抗剂的化合物的化学式（I）。化合物的化学式（I）可用于治疗和预防哮喘、过敏性鼻炎和特应性皮炎，以及其他由CRTH2受体介导的前列腺素D2（PGD2）引起的疾病。
• [EN] THERAPEUTIC HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES THÉRAPEUTIQUES
  申请人：GILEAD SCIENCES INC

  公开号：WO2019040102A1

  公开（公告）日：2019-02-28

  Compounds having the following Formula (I) and/or Formula (II) and methods of their use and preparation are disclosed.

  揭示了具有以下化学式（I）和/或化学式（II）的化合物，以及它们的使用和制备方法。
• ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME
  申请人：Jimenenz Hermogenes N.

  公开号：US20100022546A1

  公开（公告）日：2010-01-28

  The present invention provides adamantyl-diamide derivatives of formula (1): wherein R 1 and R 2 are as defined herein, or a pharmaceutically acceptable salt thereof; and pharmaceutical compositions and methods using the same.

  本发明提供了公式（1）的脱氢胆酸二酰胺衍生物：其中R1和R2如本文所定义，或其药用可接受的盐；以及使用相同的药物组合物和方法。
• [EN] BISPECIFIC DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION BISPÉCIFIQUES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2020006265A1

  公开（公告）日：2020-01-02

  Disclosed are degraders, pharmaceutical compositions containing them, and methods of making and using the degraders to treat diseases and disorders characterized by aberrant protein activity that can be targeted by cereblon.

  揭示了降解剂，包含它们的药物组合物，以及制备和使用这些降解剂来治疗由可通过 cereblon 靶向的异常蛋白活性特征的疾病和紊乱的方法。