5-氯-2,4-二氟苯硼酸 | 911645-24-4

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯硼酸系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-氯-2,4-二氟苯硼酸
• 英文名称: 5-chloro-2,4-difluorophenylboronic acid
• 英文别名: (5-Chloro-2,4-difluorophenyl)boronic acid
• CAS: 911645-24-4
• 化学式: C₆H₄BClF₂O₂
• mdl: MFCD04038751
• 分子量: 192.357
• InChiKey: NEZHJPAWXWRHBO-UHFFFAOYSA-N

物化性质

• 熔点：
  218-222°C
• 沸点：
  297.1±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  12
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090
• 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
Product Name: 5-Chloro-2,4-difluorophenylboronic acid
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
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Chloro-2,4-difluorophenylboronic acid
CAS number: 911645-24-4

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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
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.
Storage: Store in closed vessels, refrigerated.

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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: C6H4BClF2O2
Molecular weight: 192.4

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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, 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

制备方法与用途

合成制备方法

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这个部分暂时没有具体内容。

反应信息

• 作为反应物：
  描述：

  5-氯-2,4-二氟苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 (3S)-7-((S)-4-acryloyl-2-methylpiperazinl-yl)-10-(5-chloro-2,4-difluorophenyl)-3-((methoxymethox y)methyl)-9-(trifluoromethyl)-2H-[1,4]thiazino[2,3,4-ij]quinazolin-5(3H)-one
  参考文献：
  名称：

  [EN] TRICYCLIC PYRIDONES AND PYRIMIDONES
  [FR] PYRIDONES ET PYRIMIDONES TRICYCLIQUES

  摘要：

  公开号：

  WO2021127404A8

文献信息

• [EN] PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5<br/>[FR] INHIBITEURS D'ALK 5 À BASE DE PYRAZOLO[4,3-B]PYRIDINE-7-AMINE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2011146287A1

  公开（公告）日：2011-11-24

  The present invention provides ALK5 inhibitors of the formula (I) wherein the variables are as defined herein. Also provided are pharmaceutical compositions, methods of making the compounds and intermediates thereof; and methods of using the compounds.

  本发明提供了式(I)的ALK5抑制剂，其中变量如本文所定义。还提供了药物组合物、制备化合物及其中间体的方法；以及使用这些化合物的方法。
• [EN] SUBSTITUTED PYRIMIDINES AND METHODS OF USE<br/>[FR] PYRIMIDINES SUBSTITUÉES ET MÉTHODES D'UTILISATION
  申请人：THERAVANCE BIOPHARMA R&D IP LLC

  公开号：WO2021203131A1

  公开（公告）日：2021-10-07

  The present disclosure provides inhibitors of activin receptor-like kinase 5 (ALK5). Also disclosed are methods to modulate the activity of ALK5 and methods of treatment of disorders mediated by ALK5.

  本公开提供了抑制活性素受体样激酶5（ALK5）的抑制剂。还公开了调节ALK5活性的方法以及治疗由ALK5介导的疾病的方法。
• [EN] NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER<br/>[FR] NOUVEAUX AMIDES DE PHÉNYL-PYRIDINE/PYRAZINE DESTINÉS AU TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014029726A1

  公开（公告）日：2014-02-27

  The invention provides novel compounds having the general formula (I), wherein R1, R2, A and W are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有通式（I）的新化合物，其中R1、R2、A和W如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150158815A1

  公开（公告）日：2015-06-11

  The invention provides novel compounds having the general formula: wherein R 1 , R 2 , A and W are as described herein, compositions including the compounds and methods of using the compounds.

  该发明提供了具有以下一般公式的新化合物：其中R1、R2、A和W如本文所述，包括该化合物的组合物和使用该化合物的方法。
• Pyrazolo[4,3-b]pyridine-7-amine inhibitors of ALK5
  申请人：Kwok Lily

  公开号：US09073918B2

  公开（公告）日：2015-07-07

  The present invention provides ALK5 inhibitors of the formula wherein the variables are as defined herein. Also provided are pharmaceutical compositions, methods of making the compounds and intermediates thereof; and methods of using the compounds.

  本发明提供了公式中变量定义如下的ALK5抑制剂。还提供了制备该化合物及其中间体的制药组合物和方法；以及使用该化合物的方法。