3-氯-2-氟-5-羟基吡啶 | 209328-72-3

• 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: 3-氯-2-氟-5-羟基吡啶
• 中文别名: 2-氟-3-氯-5-羟基吡啶
• 英文名称: 5-chloro-6-fluoropyridin-3-ol
• 英文别名: 3-Chloro-2-fluoro-5-hydroxypyridine
• CAS: 209328-72-3
• 化学式: C₅H₃ClFNO
• mdl: MFCD08061311
• 分子量: 147.536
• InChiKey: IETLNKVWDZYCPN-UHFFFAOYSA-N

物化性质

• 沸点：
  354.4±37.0 °C(Predicted)
• 密度：
  1.517

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 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：
  33.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-2-fluoro-5-hydroxypyridine
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: 3-Chloro-2-fluoro-5-hydroxypyridine
CAS number: 209328-72-3

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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: C5H3ClFNO
Molecular weight: 147.5

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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 chloride, 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：

  3-氯-2-氟-5-羟基吡啶 在 4-二甲氨基吡啶 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 54.0h， 生成 4-{[5-chloro-6-(3-fluoropyrrolidin-1-yl)pyridine-3-yl]oxy}-N-[(dimethylamino)sulfonyl]-2,5-difluorobenzamide formate salt
  参考文献：
  名称：

  [EN] N-AMINOSULFONYL BENZAMIDES
  [FR] N-AMINOSULFONYLBENZAMIDES

  摘要：

  该发明涉及磺胺类衍生物，其在医学上的应用，含有它们的组合物，其制备方法以及在这些方法中使用的中间体。更具体地，该发明涉及一种新的磺胺类Nav1.7抑制剂，其化学式为(I)或其药学上可接受的盐，其中Z、R1a、R1b、R2、R3、R4和R5如描述中所定义。Nav1.7抑制剂在治疗各种疾病，尤其是疼痛方面具有潜在的用途。

  公开号：

  WO2013102826A1
• 作为产物：
  描述：

  5-溴-3-氯-2-氟吡啶 在 正丁基锂 、 硼酸三异丙酯 、 双氧水 、 sodium hydroxide 作用下， 以 乙醚 、 水 为溶剂， 反应 0.75h， 以58%的产率得到3-氯-2-氟-5-羟基吡啶
  参考文献：
  名称：

  HETEROARYLOXY QUINAZOLINE DERIVATIVE

  摘要：

  公开号：

  EP2221301B1

文献信息

• [EN] MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：CALICO LIFE SCIENCES

  公开号：WO2017193034A1

  公开（公告）日：2017-11-09

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases; disorders and conditions.

  本文提供了用于调节综合应激反应（ISR）并治疗相关疾病、疾病和症状的化合物、组合物和方法。
• CHEMICAL COMPOUNDS
  申请人：Pfizer Limited

  公开号：US20140315878A1

  公开（公告）日：2014-10-23

  The present invention relates to new sulfonamide URAT-1 inhibitor compounds of formula (I) or a pharmaceutically acceptable salt thereof: to compositions containing them, to processes for their preparation and to intermediates used in such processes, and to methods of treatment, wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description.

  本发明涉及新的磺胺类URAT-1抑制剂化合物的化学式(I)或其药用盐：含有它们的组合物，其制备过程以及用于这种过程的中间体，以及治疗方法，其中R1、R2、R3、R4、R5和R6如描述中所定义。
• Chemical Compounds
  申请人：Bell Andrew Simon

  公开号：US20120010183A1

  公开（公告）日：2012-01-12

  The invention relates to sulfonamide derivatives, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to a new sulfonamide Nav1.7 inhibitors of formula (I): or a pharmaceutically acceptable salt thereof, wherein Het 1 , X, R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the description. Nav 1.7 inhibitors are potentially useful in the treatment of a wide range of disorders, particularly pain.

  这项发明涉及磺胺类衍生物，其在医学上的应用，包含它们的组合物，其制备过程以及在这些过程中使用的中间体。更具体地，该发明涉及一种新的磺胺类Nav1.7抑制剂，化学式为(I)：或其药学上可接受的盐，其中Het1、X、R1、R2、R3、R4和R5如描述中所定义。Nav 1.7抑制剂在治疗各种疾病，特别是疼痛方面具有潜在的用途。
• Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with <i>in Vivo</i> Activity in Rodents
  作者：Gregory L. Adams、Francisco Velazquez、Charles Jayne、Unmesh Shah、Shouwu Miao、Eric R. Ashley、Maria Madeira、Taro E. Akiyama、Jerry Di Salvo、Takao Suzuki、Nengxue Wang、Quang Truong、Eric Gilbert、Dan Zhou、Andreas Verras、Melissa Kirkland、Michele Pachanski、Maryann Powles、Wu Yin、Feroze Ujjainwalla、Srikanth Venkatraman、Scott D. Edmondson

  DOI：10.1021/acsmedchemlett.6b00394

  日期：2017.1.12

  receptor (GPCR) that has been identified as a target for possible treatment of type 2 diabetes. A selective activator of GPR120 containing a chromane scaffold has been designed, synthesized, and evaluated in vivo. Results of these efforts suggest that chromane propionic acid 18 is a suitable tool molecule for further animal studies. Compound 18 is selective over the closely related target GPR40 (FFAR1)

  GPR120（FFAR4）是脂肪酸敏感的G蛋白偶联受体（GPCR），已被确定为可能治疗2型糖尿病的靶标。体内设计，合成和评估了含有苯并二氢吡喃骨架的GPR120选择性激活剂。这些努力的结果表明，苯丙氨酸丙酸18是用于进一步动物研究的合适工具分子。化合物18在紧密相关的靶标GPR40（FFAR1）上具有选择性，具有干净的脱靶谱，显示合适的药代动力学特性，并已在野生型/基因敲除GPR120小鼠oGTT研究中进行了评估。
• [EN] 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS<br/>[FR] 2-PYRIDONES ET MODULATEURS DE RÉCEPTEURS DE L'HORMONE THYROÏDIENNE
  申请人：ALIGOS THERAPEUTICS INC

  公开号：WO2022099044A1

  公开（公告）日：2022-05-12

  Disclosed herein are compounds of Formula I": or a stereoisomer or a tautomer thereof, or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising such compounds, and methods of treating disease by administering or contacting a subject with one or more of the above compounds.

  本文披露了I"式化合物，或其立体异构体或互变异构体，或其药学上可接受的盐，以及包含这些化合物的制药组合物，以及通过向受体施用或接触其中一种或多种上述化合物来治疗疾病的方法。