4-甲基吡啶-2-硼酸 | 372963-48-9

• 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: 4-甲基吡啶-2-硼酸
• 中文别名: 2-吡啶-4-甲基硼酸；4-甲基嘧啶-2-硼酸
• 英文名称: 4-methylpyridine-2-boronic acid
• 英文别名: (4-methylpyridin-2-yl)boronic acid
• CAS: 372963-48-9
• 化学式: C₆H₈BNO₂
• mdl: MFCD03093330
• 分子量: 136.946
• InChiKey: CGRJYCBMVWNLPD-UHFFFAOYSA-N

物化性质

• 沸点：
  335.5±44.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R37/38,R41
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 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: 4-Methylpyridine-2-boronic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H318: Causes serious eye damage
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

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Methylpyridine-2-boronic acid
CAS number: 372963-48-9

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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, 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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H8BNO2
Molecular weight: 136.9

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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：

  4-甲基吡啶-2-硼酸 在 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 27.0h， 生成 3-(4-Methylpyridin-2-yl)-9-phenyl-2-(2-pyridin-3-ylethynyl)carbazole
  参考文献：
  名称：

  헤테로고리 화합물 및 이를 포함한 유기 발광 소자

  摘要：

  公开了式 1 的杂环化合物和包含它们的有机发光器件：<方案 1>（关于式 1 的取代基，请参见上文的详细说明）。

  公开号：

  KR20150022268A
• 作为产物：
  描述：

  2-溴-4-甲基吡啶 在 乙基溴化镁 、 硼酸三异丙酯 、 水 、 氯化铵 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成 4-甲基吡啶-2-硼酸
  参考文献：
  名称：

  BI-ARYL AMINOTETRALINES

  摘要：

  这项发明涉及式I的化合物：及其药学上可接受的盐和酯，其中R1-R5，A，B，Q，W和X在详细描述和索赔中有定义。此外，本发明涉及制造和使用式I的化合物的方法，以及含有这种化合物的药物组合物。式I的化合物是CRTH2受体的拮抗剂，可能对治疗与该受体相关的疾病和紊乱有用，如哮喘。

  公开号：

  US20100041714A1

文献信息

• Bi-aryl aminotetralines
  申请人：Hoffman-La Roche Inc.

  公开号：US08163781B2

  公开（公告）日：2012-04-24

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein R1-R5, A, B, Q, W, and X are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  本发明涉及I式化合物及其药学上可接受的盐和酯，其中R1-R5，A，B，Q，W和X在详细说明和权利要求中有定义。此外，本发明还涉及制造和使用I式化合物的方法，以及含有这种化合物的药物组合物。I式化合物是CRTH2受体的拮抗剂，可能有助于治疗与该受体相关的疾病和紊乱，如哮喘。
• 一种有机金属化合物及包含其的有机电致发光器件与应用
  申请人：吉林奥来德光电材料股份有限公司

  公开号：CN117756860A

  公开（公告）日：2024-03-26

  本发明属于有机光电材料技术领域，提供了一种有机金属化合物及包含其的有机电致发光器件与应用。所述有机金属化合物的结构通式如说明书所示，其是一种使有机发光器件具有高效率、长寿命和低电压的高性能有机材料。通过引入特定的杂环配体、在特定位置上氘代及与其它官能团/基团的结合，使得到的有机金属化合物在用于有机电致发光器件后，不仅能使器件的稳定性得到改善，还能使器件的寿命增加及驱动电压降低。
• 헤테로고리 화합물 및 이를 포함한 유기 발광 소자
  申请人：Samsung Display Co., Ltd. 삼성디스플레이 주식회사(120120164552) Corp. No ▼ 134511-0187812

  公开号：KR20150022268A

  公开（公告）日：2015-03-04

  화학식 1 의 헤테로고리 화합물 및 이를 포함한 유기 발광 소자가 개시된다: <화학식 1> (상기 화학식 1 의 치환기에 대한 내용은 상세한 설명을 참고한다).

  公开了式 1 的杂环化合物和包含它们的有机发光器件：<方案 1>（关于式 1 的取代基，请参见上文的详细说明）。
• BI-ARYL AMINOTETRALINES
  申请人：Blanc Jean-Baptiste

  公开号：US20100041714A1

  公开（公告）日：2010-02-18

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein R 1 -R 5 , A, B, Q, W, and X are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  这项发明涉及式I的化合物：及其药学上可接受的盐和酯，其中R1-R5，A，B，Q，W和X在详细描述和索赔中有定义。此外，本发明涉及制造和使用式I的化合物的方法，以及含有这种化合物的药物组合物。式I的化合物是CRTH2受体的拮抗剂，可能对治疗与该受体相关的疾病和紊乱有用，如哮喘。