2,6-二氟-3-胺基吡啶 | 108118-69-0

• 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: 2,6-二氟-3-胺基吡啶
• 中文别名: 3-氨基-2,6-二氟吡啶；2,6-二氟-3-氨基吡啶
• 英文名称: 2,6-difluoropyridin-3-amine
• CAS: 108118-69-0
• 化学式: C₅H₄F₂N₂
• mdl: MFCD13185331
• 分子量: 130.097
• InChiKey: TVWPHKCZBQOPBF-UHFFFAOYSA-N

物化性质

• 沸点：
  257.7±35.0 °C(Predicted)
• 密度：
  1.393±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：
  38.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 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: 2,6-Difluoropyridin-3-amine
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-Difluoropyridin-3-amine
CAS number: 108118-69-0

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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, refrigerated.
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: C5H4F2N2
Molecular weight: 130.1

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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：

  2,6-二氟-3-胺基吡啶 在 甲酸 、 乙酸酐 、 碳酸氢钠 作用下， 以 甲基叔丁基醚 、 乙酸乙酯 为溶剂， 生成 N-(2,6-difluoropyridin-3-yl)formamide
  参考文献：
  名称：

  POLYCYCLIC COMPOUND

  摘要：

  公开号：

  EP2181992B8
• 作为产物：
  描述：

  2,6-二氟-3-硝基吡啶 在 铁粉 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 2,6-二氟-3-胺基吡啶
  参考文献：
  名称：

  Radl, Stanislav; Hradil, Pavel, Collection of Czechoslovak Chemical Communications, 1991, vol. 56, # 11.1, p. 2420 - 2429

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-甲基-1H-吡咯并[2,3-B]吡啶-5-羧酸 、 2,6-二氟-3-胺基吡啶 、 1-氯-N,N,2-三甲基丙烯胺 在 2,6-二氟-3-胺基吡啶 、 1-氯-N,N,2-三甲基丙烯胺 作用下， 以13的产率得到5-Fluoro-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyridine
  参考文献：
  名称：

  Substituted azabenzoxazoles

  摘要：

  本发明涉及式(I)的新型淀粉样蛋白结合化合物及测量该化合物效果的方法，该方法通过测量活体患者淀粉样斑块水平的变化来实现。更具体地，本发明涉及使用该发明化合物作为正电子发射断层扫描（PET）成像中的示踪剂，以研究体内脑中的淀粉样沉积物，从而诊断阿尔茨海默病。因此，本发明涉及将新型淀粉样蛋白结合化合物用作诊断工具。本发明还涉及一种测量阿尔茨海默病治疗剂临床疗效的方法。具体而言，本发明涉及新型芳基或杂环芳基取代的氮杂苯并噁唑衍生物、组成物及其治疗用途和制备该化合物或其药学上可接受的盐、溶剂或体内水解酯的过程，其中：X为O或S；A和Y独立地为N或CH。

  公开号：

  US08530483B2

文献信息

• [EN] PYRROLIDINONES AND A PROCESS TO PREPARE THEM<br/>[FR] PYRROLIDINONES ET PROCÉDÉ POUR LES PRÉPARER
  申请人：FMC CORP

  公开号：WO2018175226A1

  公开（公告）日：2018-09-27

  This application is directed to a compound of Formula II Also disclosed is a process for preparing a compound of Formula II comprising using the compounds of Formulae IV and V Also disclosed is a method for preparing a compound of Formula I comprising contacting a compound of Formula II with a compound of a compound of Formula VI wherein A1, A2 A3, R1, R2, R3a, R3b, R4, B1, B2 and B3, are as defined in the disclosure.

  这项申请涉及一种II式化合物。还披露了一种制备II式化合物的方法，包括使用IV式和V式化合物。还披露了一种制备I式化合物的方法，包括将II式化合物与VI式化合物接触，其中A1、A2、A3、R1、R2、R3a、R3b、R4、B1、B2和B3的定义如披露中所述。
• MULTI-CYCLIC COMPOUNDS
  申请人：KIMURA Teiji

  公开号：US20090062529A1

  公开（公告）日：2009-03-05

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为（I）或其药学上可接受的盐，其中Ar1代表咪唑基团或类似物，可以用C1-6烷基基团取代，Ar2代表苯基团或类似物，可以用C1-6烷氧基取代，X1代表双键或类似物，Het代表三唑基团或类似物，可以用C1-6烷基或类似物取代，可用作治疗或预防由Aβ引起的疾病的药物。
• IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF
  申请人：KIMURA Teiji

  公开号：US20110065696A1

  公开（公告）日：2011-03-17

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar 1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar 2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X 1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为(I)或其药理学上可接受的盐，其中Ar1代表咪唑基团或类似基团，该基团可能被C1-6烷基取代，Ar2代表苯基或类似基团，该基团可能被C1-6烷氧基取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，该基团可能被C1-6烷基或类似基团取代，可用作治疗或预防由Aβ引起的疾病的药物。
• NOVEL SUBSTITUTED AZABENZOXAZOLES
  申请人：Barrow James C.

  公开号：US20110085985A1

  公开（公告）日：2011-04-14

  The present invention relates to novel amyloid binding compounds of formula (I) and methods for measuring effects of the compounds, by measuring changes of amyloid plaque level in living patients. More specifically, the present invention relates to a method of using the compounds of this invention as tracers in positron emission tomography (PET/) imaging to study amyloid deposits in brain in vivo to allow diagnosis of Alzheimer's disease. Thus, the present invention relates to use of the novel amyloid binding compounds as a diagnostic. The invention further relates to a method of measuring clinical efficacy of Alzheimer's disease therapeutic agents. Specifically, the present invention relates to novel aryl or heteroaryl substituted azabenzoxazole derivatives, compositions, and therapeutic uses and processes for making such compounds, or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof, wherein: X is O or S; A and Y independently are N, or CH;

  本发明涉及式(I)的新型淀粉样蛋白结合化合物，以及通过测量活体患者淀粉样斑块水平的变化来测量化合物效果的方法。更具体地，本发明涉及使用本发明的化合物作为正电子发射断层扫描（PET）成像中的示踪剂，以研究体内脑部淀粉样沉积物，以诊断阿尔茨海默病。因此，本发明涉及使用新型淀粉样蛋白结合化合物作为诊断工具。本发明还涉及一种测量阿尔茨海默病治疗剂临床疗效的方法。具体而言，本发明涉及新型芳基或杂芳基取代的氮杂苯并噁唑衍生物、组成物和治疗用途，以及制备这些化合物的过程，或其药学上可接受的盐、溶剂合物或体内水解酯，其中：X为O或S；A和Y独立地为N或CH。
• Imidazoyl pyridine compounds and salts thereof
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07935815B2

  公开（公告）日：2011-05-03

  A compound represented by the formula (I): or a pharmacologically acceptable salt thereof, wherein Ar1 represents an imidazolyl group or the like which may be substituted with a C1-6 alkyl group, Ar2 represents a phenyl group or the like which may be substituted with a C1-6 alkoxy group, X1 represents a double bond or the like and Het represents a triazolyl group or the like which may be substituted with a C1-6 alkyl group or the like, is effective as a therapeutic or prophylactic agent for a disease caused by Aβ.

  化合物的化学式为（I）或其药学上可接受的盐，其中Ar1代表咪唑基团或类似基团，可以用C1-6烷基基团取代，Ar2代表苯基团或类似基团，可以用C1-6烷氧基基团取代，X1代表双键或类似基团，Het代表三唑基团或类似基团，可以用C1-6烷基基团或类似基团取代，对由Aβ引起的疾病具有治疗或预防作用。