2-乙氧基吡啶-3-硼酸频哪醇酯 | 848243-23-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙氧基吡啶-3-硼酸频哪醇酯
• 中文别名: 2-乙氧基-3-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶；2-乙氧基-3-(4,4,5,5-四甲基-[1,3,2]二氧硼戊环-2-基)吡啶；2-乙氧基吡啶-3-硼酸频那醇酯
• 英文名称: 2-ethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 848243-23-2
• 化学式: C₁₃H₂₀BNO₃
• mdl: MFCD07366721
• 分子量: 249.118
• InChiKey: GRXNEZGBXVIORK-UHFFFAOYSA-N

物化性质

• 沸点：
  344.7±27.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  按规定使用和贮存的情况下，它们不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.615
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 危险标志：
  GHS07
• 危险性描述：
  H319
• 危险性防范说明：
  P305 + P351 + P338

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Ethoxypyridine-3-boronic acid, pinacol ester
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye 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: 2-Ethoxypyridine-3-boronic acid, pinacol ester
CAS number: 848243-23-2

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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: C13H20BNO3
Molecular weight: 249.1

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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.

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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-乙氧基吡啶-3-硼酸频哪醇酯 在 四(三苯基膦)钯 、 bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} 、 二(叔丁基羰基氧基)碘苯 、 potassium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 醋酸异丙酯 、 水 、 二甲基亚砜 为溶剂， 反应 45.0h， 生成 3-(2-ethoxypyridin-3-yl)-N-(methylsulfonyl)-4-(4-(trifluoromethoxy)phenoxy)benzamide
  参考文献：
  名称：

  [EN] SULFONAMIDE DERIVATIVES AND USE THEREOF AS VGSC INHIBITORS
  [FR] DÉRIVÉS SULFONAMIDES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE VGSC

  摘要：

  该发明涉及新的磺胺类Nav1.7抑制剂及其药用盐，以及它们在医学上的应用，包含它们的组合物，用于它们制备的方法以及用于此类方法的中间体。Nav1.7抑制剂在治疗各种疾病，特别是疼痛方面具有潜在的用途。

  公开号：

  WO2013093688A1
• 作为产物：
  描述：

  2-氟-3-溴吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 mineral oil 为溶剂， 反应 9.0h， 生成 2-乙氧基吡啶-3-硼酸频哪醇酯
  参考文献：
  名称：

  [EN] SULFONAMIDE DERIVATIVES AND USE THEREOF AS VGSC INHIBITORS
  [FR] DÉRIVÉS SULFONAMIDES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE VGSC

  摘要：

  该发明涉及新的磺胺类Nav1.7抑制剂及其药用盐，以及它们在医学上的应用，包含它们的组合物，用于它们制备的方法以及用于此类方法的中间体。Nav1.7抑制剂在治疗各种疾病，特别是疼痛方面具有潜在的用途。

  公开号：

  WO2013093688A1

文献信息

• [EN] 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS<br/>[FR] 1H-PYRAZOLO [4,3-B] PYRIDINES EN TANT QU'INHIBITEURS DE PDE1
  申请人：H LUNDBECK AS

  公开号：WO2018007249A1

  公开（公告）日：2018-01-11

  The present invention provides 1H-pyrazolo[4,3-b]pyridin-7-amines of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶-7-胺作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• MACROCYCLES AS PDE1 INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20190185489A1

  公开（公告）日：2019-06-20

  The present invention provides macrocycles of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的大环化合物作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20190194189A1

  公开（公告）日：2019-06-27

  The present invention provides 1H-pyrazolo[4,3-b]pyridines of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶类化合物作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• [EN] COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES<br/>[FR] TRAITEMENTS COMBINÉS COMPRENANT L'ADMINISTRATION DE 1H-PYRAZOLO [4,3-B] PYRIDINES
  申请人：H LUNDBECK AS

  公开号：WO2019115567A1

  公开（公告）日：2019-06-20

  The present invention provides 1H-pyrazolo[4,3-b]pyridin-7-amines of formula (I) as PDE1 inhibitors together with a second compound useful in the treatment of a neurodegenerative disorder and their combined use as a medicament, in particular for the treatment of neurodegenerative and/or cognitive disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶-7-胺作为PDE1抑制剂，以及在治疗神经退行性疾病中有用的第二化合物，以及它们的联合使用作为药物，特别用于治疗神经退行性和/或认知障碍。
• [EN] PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS<br/>[FR] PYRAZOLO[3,4-B]PYRIDINES ET IMIDAZO[1,5-B]PYRIDAZINES UTILISÉES EN TANT QU'INHIBITEURS DE PDE1
  申请人：H LUNDBECK AS

  公开号：WO2019121840A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of formula (I) that are PDEl enzyme inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders. The present invention also provides pharmaceutical compositions comprising compounds of the invention and methods of treating disorders using the compounds of the invention.

  本发明提供了化合物(I)的结构，这些化合物是PDEl酶抑制剂，可用作药物，特别是用于治疗神经退行性疾病和精神疾病。本发明还提供了包含本发明化合物的药物组合物以及使用这些化合物治疗疾病的方法。