4-氟-2-羟基吡啶 | 96530-75-5

• 物质功能分类: 医药中间体 - 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-2-羟基吡啶
• 中文别名: 4-氟吡啶-2-醇
• 英文名称: 4-fluoro-2-pyridone
• 英文别名: 4-fluoro-1,2-dihydropyridin-2-one；4-fluoro-1H-pyridin-2-one
• CAS: 96530-75-5
• 化学式: C₅H₄FNO
• mdl: MFCD04114169
• 分子量: 113.091
• InChiKey: XSRUCRGHYLPMHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Fluoropyridin-2-ol
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-Fluoropyridin-2-ol
CAS number: 96530-75-5

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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: C5H4FNO
Molecular weight: 113.1

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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-2-羟基吡啶 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 4-[(2R)-2-ethyl-4-[(2-ethylpyridin-3-yl)methyl]piperazin-1-yl]-1,2-dihydropyridin-2-one
  参考文献：
  名称：

  [EN] PYRIDAZINONES AND METHODS OF USE THEREOF
  [FR] PYRIDAZINONES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2019055966A3
• 作为产物：
  描述：

  4-氨基-2-甲氧基吡啶 在 tetrafluoroboric acid 、 碘代三甲硅烷 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 6.75h， 生成 4-氟-2-羟基吡啶
  参考文献：
  名称：

  氟化杂环化合物。4-氟-2-吡啶酮

  摘要：

  尿嘧啶类似物4-氟-2-吡啶酮是通过将4-氟-2-甲氧基吡啶与三甲基甲硅烷基碘进行醚裂解而合成的。描述了制备2-甲氧基吡啶N-氧化物盐酸盐和2-甲氧基-4-硝基吡啶N-氧化物的改进方法。

  DOI：

  10.1002/jhet.5570220136

文献信息

• [EN] 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS<br/>[FR] 3 -AZABICYCLO [4.1.0] HEPTANES UTILISÉS COMME ANTAGONISTES DE L'OREXINE
  申请人：GLAXO GROUP LTD

  公开号：WO2010122151A1

  公开（公告）日：2010-10-28

  This invention relates to 3-azabicyclo[4.1.0] heptane derivatives (I) and their use as orexin receptor antagonists.

  这项发明涉及3-氮杂双环[4.1.0]庚烷衍生物(I)及其作为促觉醒素受体拮抗剂的用途。
• [EN] ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES D'ARYLMÉTHYLÈNE UTILISÉS EN TANT QUE BLOQUEURS DES CANAUX POTASSIQUES KV1.3 DE TYPE SHAKER
  申请人：DE SHAW RES LLC

  公开号：WO2021071806A1

  公开（公告）日：2021-04-15

  A compound of Formula (I) or a pharmaceutically acceptable salt thereof is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.

  描述了化合物的公式（I）或其药学上可接受的盐，其中取代基如本文所定义。还描述了包含相同化合物的药物组合物以及使用该药物的方法。
• [EN] QUINOXALINE DERIVATIVES AS GPR6 MODULATORS<br/>[FR] DÉRIVÉS DE QUINOXALINE EN TANT QUE MODULATEURS DU GPR6
  申请人：ENVOY THERAPEUTICS INC

  公开号：WO2014028479A1

  公开（公告）日：2014-02-20

  The present invention provides compounds of Formula (I) that are GPR6 modulators and are therefore useful for the treatment of diseases treatable by modulation of GPR6, in particular treating Parkinson disease, levodopa induced dyskinesias, Huntington's disease, other dyskinesias, akinesias, and motor disorders involving dysfunction of the striatum, schizophrenia and drug addiction. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了式(I)化合物，该化合物是GPR6调节剂，因此可用于治疗可通过调节GPR6来治疗的疾病，特别是治疗帕金森病、左旋多巴诱导的舞蹈病、亨廷顿病、其他舞蹈病、运动不能、涉及纹状体功能障碍的运动障碍、精神分裂症和药物成瘾。还提供了含有此类化合物的药物组合物以及制备此类化合物的过程。
• [EN] SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS<br/>[FR] DÉRIVÉS 4,5,6,7-TÉTRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE SUBSTITUÉS ET DÉRIVÉS 5,6,7,8-TÉTRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZÉPINE UTILISÉS COMME INHIBITEURS DE ROS1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015144799A1

  公开（公告）日：2015-10-01

  The present invention relates to substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives of formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as ROS 1 inhibitors. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及取代的4,5,6,7-四氢吡唑并[1,5-a]吡嗪衍生物和5,6,7,8-四氢-4H-吡唑并[1,5-a][1,4]二氮杂环衍生物的公式(I)中的变量具有权利要求中定义的含义。根据本发明的化合物可用作ROS 1抑制剂。本发明还涉及制备这种新化合物的方法，包含所述化合物作为活性成分的药物组合物，以及将所述化合物用作药物的用途。
• 4-Methyl-7-Amino/Amido Coumarin Derivatives as Potential Antimicrobials and Antioxidants
  作者：Muthipeedika Nibin Joy、Yadav D. Bodke、Sandeep Telkar

  DOI：10.1007/s10600-020-03106-y

  日期：2020.7

  An array of previously synthesized 4-methyl-7-amino and amido coumarins 4a–u has been screened for their antimicrobial and antioxidant properties. Some of the compounds exhibited promising antibacterial and antifungal activities (MIC ranging from 4–64 μg/mL) when compared to the respective standards. Compound 4u showed comparable antibacterial activity with the standard, ciprofloxacin, whereas compounds 4u and 4t displayed promising antifungal activity when compared to the standard, fluconazole. The in silico docking studies against gyrase enzyme revealed the fact that 4u possessed hydrogen bonding and significant hydrophobic interactions, which may be the reason for its superior antibacterial activity as compared to the other compounds. Compounds 4c and 4m showed comparable antioxidant activity with the standard, BHT, which can be attributed to the presence of electron-donating substituents.

  一批先前合成的4-甲基-7-氨基和酰胺香豆素4a–u已被筛选其抗菌和抗氧化性能。与各自的标准相比，一些化合物表现出有前景的抗菌和抗真菌活性（MIC范围为4-64 μg/mL）。化合物4u显示出与标准环丙沙星相当的抗菌活性，而化合物4u和4t在与标准氟康唑相比时显示出有前景的抗真菌活性。针对拓扑异构酶的计算对接研究揭示了4u具有氢键和显著的疏水相互作用，这可能是其相对于其他化合物具有更优越抗菌活性的原因。化合物4c和4m显示出与标准BHT相当的抗氧化活性，这可以归因于存在供电子取代基。