2,3-二氟-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶 | 1154579-82-4

• 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: 2,3-二氟-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶
• 中文别名: 2,3-二氟吡啶-5-硼酸频哪醇酯
• 英文名称: 2,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 1154579-82-4
• 化学式: C₁₁H₁₄BF₂NO₂
• 分子量: 241.045
• InChiKey: VNZJHRDRAFSPLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  299.2±40.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 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: 2,3-Difluoropyridine-5-boronic acid pinacol ester
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: 2,3-Difluoropyridine-5-boronic acid pinacol ester
CAS number: 1154579-82-4

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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.
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: C11H14BF2NO2
Molecular weight: 241.0

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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：

  2,3-二氟-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶 在 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 5,6-difluoropyridin-3-ol
  参考文献：
  名称：

  [EN] 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS
  [FR] COMPOSÉS 2,3-DIHYDROIMIDAZO[1,2-C]PYRIMIDIN-5(1H)-ONE ET UTILISATION EN TANT QU'INHIBITEURS DE LP-PLA2

  摘要：

  本文披露了抑制Lp-PLA2的2,3-二氢咪唑[1,2-c]嘧啶-5(1H)-酮化合物，以及其制备方法、含有它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病中的用途，例如动脉粥样硬化、阿尔茨海默病。

  公开号：

  WO2013013503A1
• 作为产物：
  描述：

  5-碘-2,3-二氟吡啶 、 联硼酸频那醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 作用下， 以 二甲基亚砜 为溶剂， 生成 2,3-二氟-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)吡啶
  参考文献：
  名称：

  [EN] IMIDAZOLE DERIVATIVES
  [FR] DÉRIVÉS D'IMIDAZOLE

  摘要：

  本文披露了一种新型咪唑衍生物化合物，即苯并咪唑和氮杂苯并咪唑衍生物，其作为DGAT1抑制剂，并可用于预防、治疗或作为高脂血症、糖尿病和肥胖的治疗药物。进一步披露了治疗各种与DGAT1相关疾病的方法，以及将本文所述的咪唑化合物用于制造用于该治疗的药物的用途。

  公开号：

  WO2013074387A1

文献信息

• [EN] COMPOUNDS AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS ET PROCÉDÉS D'UTILISATION DESDITS COMPOSÉS
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2018098499A1

  公开（公告）日：2018-05-31

  The present invention is directed to, in part, fused heteroaryl compounds and compositions useful for preventing and/or treating a disease or condition relating to aberrant function of a voltage-gated, sodium ion channel, for example, abnormal late/persistent sodium current. Methods of treating a disease or condition relating to aberrant function of a sodium ion channel including Dravet syndrome or epilepsy are also provided herein.

  本发明部分涉及融合的杂环化合物和组合物，用于预防和/或治疗与电压门控钠离子通道异常功能相关的疾病或症状，例如异常的晚期/持续性钠电流。本文还提供了治疗与钠离子通道异常功能相关的疾病或症状，包括德拉维特综合征或癫痫的方法。
• [EN] 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS<br/>[FR] COMPOSÉS 2,3-DIHYDROIMIDAZO[1,2-C]PYRIMIDIN-5(1H)-ONE ET UTILISATION EN TANT QU'INHIBITEURS DE LP-PLA2
  申请人：GLAXO GROUP LTD

  公开号：WO2013013503A1

  公开（公告）日：2013-01-31

  Disclosed are 2,3-dihydroimidazo[1,2-c]pyrimidin-5(1H)-one compounds that inhibit Lp-PLA2, processes for their preparation, compositions containing them and their use in the treatment of diseases associated with the activity of Lp-PLA2, for example atherosclerosis, Alzheimer's disease.

  本文披露了抑制Lp-PLA2的2,3-二氢咪唑[1,2-c]嘧啶-5(1H)-酮化合物，以及其制备方法、含有它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病中的用途，例如动脉粥样硬化、阿尔茨海默病。
• Fused heterocyclic derivatives and methods of use
  申请人：Albrecht Brian K.

  公开号：US20090318436A1

  公开（公告）日：2009-12-24

  Selected compounds are effective for prophylaxis and treatment of diseases, such as HGF mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于预防和治疗疾病，例如HGF介导的疾病具有有效性。该发明包括新颖的化合物、类似物、前药和其药学上可接受的盐，以及预防和治疗涉及癌症等疾病和其他不适或状况的药物组合物和方法。该发明还涉及制备这种化合物的过程，以及在这种过程中有用的中间体。
• FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE
  申请人：Albrecht Brian K.

  公开号：US20120107275A1

  公开（公告）日：2012-05-03

  Selected compounds are effective for prophylaxis and treatment of diseases, such as HGF mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物可用于预防和治疗疾病，如HGF介导的疾病。本发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的盐、药物组合物以及预防和治疗涉及癌症等疾病和其他不适或病况的方法。本发明还涉及制备这种化合物的方法，以及在这些过程中有用的中间体。
• 2,3-dihydroimidazo[1, 2-c] pyrimidin-5(1 H)-one compounds use as LP-PLA2 inhibitors
  申请人：Wan Zehong

  公开号：US08975400B2

  公开（公告）日：2015-03-10

  Disclosed are 2,3-dihydroimiazo[1,2-c]pyrimidin-5(IH)-one compounds that inhibit Lp-PLA2,processes for their preparation, compositions containing them and their use in the treatment of diseases associated with the activity of Lp-PLA2, for example atherosclerosis, Alzheimer's disease.

  本发明涉及抑制Lp-PLA2的2,3-二氢咪唑[1,2-c]嘧啶-5（IH）-酮化合物，其制备方法，包含它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病，例如动脉粥样硬化，阿尔茨海默病中的应用。