3-氯-2-氟吡啶-4-硼酸 | 1217500-55-4

• 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: 3-氯-2-氟吡啶-4-硼酸
• 英文名称: (3-chloro-2-fluoropyridin-4-yl)boronic acid
• CAS: 1217500-55-4
• 化学式: C₅H₄BClFNO₂
• mdl: MFCD09037477
• 分子量: 175.355
• InChiKey: VYHSSQRGIWMXJE-UHFFFAOYSA-N

物化性质

• 熔点：
  126-130°C
• 沸点：
  349.6±52.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  11
• 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：
  53.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Chloro-2-fluoropyridine-4-boronic acid
CAS number: 1217500-55-4

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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, under −20◦C.
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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H4BClFNO2
Molecular weight: 175.4

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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-氟吡啶-4-硼酸 在 四(三苯基膦)钯 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 tert-butyl (1-(6-(3-chloro-2-(pyrrolidin-1-yl)pyridin-4-yl)pyrido[2,3-b]pyrazin-2-yl)-4-methylpiperidin-4-yl)carbamate
  参考文献：
  名称：

  WO2020081848A5

  摘要：

  公开号：

  WO2020081848A5

文献信息

• [EN] HPK1 INHIBITORS<br/>[FR] INHIBITEURS DE HPK1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020193511A1

  公开（公告）日：2020-10-01

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, pharmaceutical composition comprising such compounds, and their use as HPK1 inhibitors, useful for treating diseases such as cancer.

  本发明涉及对哺乳动物在治疗和/或预防方面有用的药物剂，包括这些化合物的药物组合物，以及它们作为HPK1抑制剂的用途，用于治疗癌症等疾病。
• IMIDAZOPYRIMIDINE DERIVATIVES
  申请人：Gilead Sciences, Inc.

  公开号：US20200108071A1

  公开（公告）日：2020-04-09

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula I, processes for preparing compounds of Formula I, therapeutic methods for treating cancers.

  本公开提供了一种如下式（I）的化合物： 或其药学上可接受的盐。本公开还提供了包含如下式I的化合物的药物组合物，制备如下式I的化合物的方法，以及治疗癌症的治疗方法。
• [EN] AZACARBOLINE COMPOUNDS FOR THE DETECTION OF TAU AGGREGATES<br/>[FR] COMPOSÉS D'AZACARBOLINE POUR LA DÉTECTION D'AGRÉGATS DE TAU
  申请人：AC IMMUNE SA

  公开号：WO2019145292A1

  公开（公告）日：2019-08-01

  The present invention relates to novel compounds of the formula (II) that can be employed in the selective Tau detection of disorders and abnormalities associated with Tau aggregates such as Alzheimer's disease and other tauopathies using Positron Emission Tomography (PET) Imaging. The present invention also discloses intermediates which are useful in the preparation of these compounds.

  本发明涉及一种新型化合物（II）的公式，可以用于选择性Tau蛋白的检测，用于与Tau聚集物相关的紊乱和异常，如阿尔茨海默病和其他Tau病变，利用正电子发射断层扫描（PET）成像。本发明还揭示了在制备这些化合物中有用的中间体。
• [EN] (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER<br/>[FR] DÉRIVÉS DE (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPÉRIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE ET COMPOSÉS SIMILAIRES SERVANT D'INHIBITEURS DE SHP2 POUR LE TRAITEMENT, PAR EXEMPLE, DU CANCER
  申请人：C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING

  公开号：WO2022207924A1

  公开（公告）日：2022-10-06

  The present invention relates to compounds of formula (I). The compounds of the formula (I) are e.g. (S)-1-(5-((pyridin-3-yl)thio) pyrazin-2-yl)-4lH,6'H-spiro[piperidine-4,5'-pyrrolo[l,2-b]pyrazol]-4l- amine derivatives and similar compounds. The present invention also relates to the compounds of formula (I) for use as Src homology phosphotyrosine phosphatase 2 (SHP2) inhibitors in methods of treatment of e.g. cancer, cardiovascular diseases, immunological disorders, autoimmune disorders, fibrosis, ocular disorders, systemic lupus erythematosus, diabetes, neutropenia, and combinations thereof. The present invention also relates to pharmaceutical compositions containing said compounds and to their methods of synthesis.

  本发明涉及式(I)的化合物。公式(I)的化合物例如为(S)-1-(5-((吡啶-3-基)硫)吡嗪-2-基)-4lH，6'H-螺[哌啶-4,5'-吡咯[l,2-b]吡唑]-4l-氨基衍生物和类似化合物。本发明还涉及用于Src同源磷酸酪氨酸磷酸酶2（SHP2）抑制剂的化合物(I)在治疗癌症，心血管疾病，免疫性疾病，自身免疫性疾病，纤维化，眼部疾病，全身性红斑狼疮，糖尿病，中性粒细胞减少症等方面的治疗方法。本发明还涉及含有该化合物的制药组合物以及它们的合成方法。
• [EN] PYRIDINE OR PYRIMIDINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] DÉRIVÉ DE PYRIDINE OU DE PYRIMIDINE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 吡啶或嘧啶类衍生物及其制备方法和用途
  申请人：ZHEJIANG HISUN PHARM CO LTD

  公开号：WO2022007869A1

  公开（公告）日：2022-01-13

  本发明涉及吡啶或嘧啶类衍生物、其制备方法及其在医药上的应用。具体而言，本发明涉及一种通式（I）所示的吡啶或嘧啶类衍生物、其制备方法及其可药用的盐，以及它们作为治疗剂，特别是SHP2变构抑制剂的用途，其中通式（I）中的各取代基的定义与说明书中的定义相同，