2,6-二溴-3-氟吡啶 | 41404-59-5

• 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: 2,6-二溴-3-氟吡啶
• 英文名称: 2,6-dibromo-3-fluoropyridine
• CAS: 41404-59-5
• 化学式: C₅H₂Br₂FN
• 分子量: 254.884
• InChiKey: GOAOEPAQKOERAT-UHFFFAOYSA-N

物化性质

• 熔点：
  68-71 °C
• 沸点：
  233.8±35.0 °C(Predicted)
• 密度：
  2.137±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 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：
  12.9
• 氢给体数：
  0
• 氢受体数：
  2

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,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,6-Dibromo-3-fluoropyridine
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: 2,6-Dibromo-3-fluoropyridine
CAS number: 41404-59-5

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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: C5H2Br2FN
Molecular weight: 254.9

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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, hydrogen bromide.

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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

制备方法与用途

用途

2,6-二溴-3-氟吡啶在常温常压下为白色至类白色的固体粉末，具有显著的碱性，可与多种酸性物质结合成盐。

应用

2,6-二溴-3-氟吡啶主要用作有机合成中间体和医药化学原料。它广泛应用于多取代官能团化吡啶类衍生物的制备，例如有文献报道该化合物可用于环氧合酶-2抑制剂的结构修饰与合成。

反应信息

• 作为反应物：
  描述：

  2,6-二溴-3-氟吡啶 在 copper(l) iodide 、 正丁基锂 、 potassium carbonate 、 间氯过氧苯甲酸 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 、 乙醚 、 甲苯 为溶剂， 反应 2.25h， 生成 tert-butyl 6-((1-(5-fluoro-6-(1-hydroxycyclobutyl)pyridin-2-yl)-2-isopropyl-3-oxo-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-3,4-dihydroisoquinoline-2(1H)-carboxylate
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  提供了作为Weel抑制剂的杂环化合物。这些化合物可以作为治疗药物用于治疗疾病，并且可能在肿瘤学中发挥特定的作用。

  公开号：

  WO2022082174A1
• 作为产物：
  描述：

  2,6-Dibromopyridine-3-diazonium Tetrafluoroborate 反应 0.83h， 以100%的产率得到2,6-二溴-3-氟吡啶
  参考文献：
  名称：

  CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF

  摘要：

  公式I的化合物能够抑制Btk，本文中对此进行了描述。描述了包含至少一个公式I化合物的药物组合物，以及至少一个从载体、佐剂和辅料中选择的药用辅料。描述了治疗患有对Btk活性抑制和/或B细胞活性有反应的某些疾病患者的方法。还描述了用于确定样本中存在Btk的方法。

  公开号：

  US20090082330A1

文献信息

• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2015026792A1

  公开（公告）日：2015-02-26

  Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

  本文披露了新的抗病毒化合物，以及包括一种或多种抗病毒化合物的药物组合物，以及合成这些化合物的方法。本文还披露了使用一种或多种小分子化合物改善和/或治疗副粘病毒病毒感染的方法。副粘病毒感染的例子包括由人类呼吸道合胞病毒（RSV）引起的感染。
• [EN] GLP-1 RECEPTOR AGONISTS AND USES THEREOF<br/>[FR] AGONISTES DU RÉCEPTEUR GLP-1 ET LEURS UTILISATIONS
  申请人：PFIZER

  公开号：WO2019239371A1

  公开（公告）日：2019-12-19

  Provided herein are 6-carboxylic acids of benzimidazoles and 4-aza-, 5-aza-, and 7-aza- benzimidazoles as GLP-1R agonists, processes to make said compounds, and methods comprising administering said compounds to a mammal in need thereof.

  本文提供苯并咪唑的6-羧酸和4-氮杂、5-氮杂和7-氮杂苯并咪唑作为GLP-1R激动剂，制备这些化合物的方法，以及包括向需要的哺乳动物施用这些化合物的方法。
• [EN] CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE CYCLO-OXYGÉNASE 2 ET LEURS UTILISATIONS
  申请人：BROAD INST INC

  公开号：WO2021050700A1

  公开（公告）日：2021-03-18

  The present disclosure describes compounds of the formula: (I), (II), (III), (IV), (V). The compounds described herein may be cyclooxygenase (COX) (e.g., cyclooxygenase 2 (COX2)) inhibitors. The compounds may be radiolabeled. The compounds (e.g., radiolabeled compounds) may be useful (e.g., as positron emission tomography (PET) imaging agents) for diagnosing a disease. The compounds may also be useful for treating or preventing a disease. The present disclosure also describes pharmaceutical compositions and kits including the compounds; and methods of using the compounds.

  本公开描述了以下式的化合物：(I)，(II)，(III)，(IV)，(V)。本文描述的化合物可能是环氧合酶（COX）（例如，环氧合酶2（COX2））抑制剂。这些化合物可能被放射标记。这些化合物（例如，放射标记化合物）可能用于诊断疾病（例如，作为正电子发射断层扫描（PET）成像剂）。这些化合物也可能用于治疗或预防疾病。本公开还描述了包括这些化合物的药物组合物和试剂盒；以及使用这些化合物的方法。
• [EN] HETEROCYCLIC GLP-1 AGONISTS<br/>[FR] AGONISTES HÉTÉROCYCLIQUES DE GLP-1
  申请人：GASHERBRUM BIO INC

  公开号：WO2022042691A1

  公开（公告）日：2022-03-03

  This disclosure relates to GLP-1 agonists of Formula (I), including pharmaceutically acceptable salts and solvates thereof, and pharmaceutical compositions including the same.

  本公开涉及到式（I）的GLP-1激动剂，包括其药用可接受的盐和溶剂，以及包括相同的药物组合物。
• 稠合咪唑类衍生物、其制备方法及其在医药上的应用
  申请人：江苏恒瑞医药股份有限公司

  公开号：CN113816948B

  公开（公告）日：2023-08-11

  本公开涉及稠合咪唑类衍生物、其制备方法及其在医药上的应用。具体而言，本公开涉及一种通式(I)所示的稠合咪唑类衍生物、其制备方法及含有该衍生物的药物组合物以及其作为治疗剂的用途，特别是作为GLP‑1受体激动剂的用途和用于制备治疗和/或预防糖尿病的药物中的用途。