6-氯-2-甲基吡啶-3-硼酸 | 913836-15-4

• 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: 6-氯-2-甲基吡啶-3-硼酸
• 中文别名: 6-氯-2-甲基砒啶-3-硼酸；2-氯-6-甲基吡啶-5-硼酸
• 英文名称: (6-chloro-2-methylpyridin-3-yl)boronic acid
• 英文别名: 6-Chloro-2-methylpyridine-3-boronic acid
• CAS: 913836-15-4
• 化学式: C₆H₇BClNO₂
• mdl: MFCD07368875
• 分子量: 171.391
• InChiKey: WEKRUIAZOLIAOG-UHFFFAOYSA-N

物化性质

• 熔点：
  154-156
• 沸点：
  336.6±52.0 °C(Predicted)
• 密度：
  1.34

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
6-Chloro-2-methylpyridine-3-boronic acid
Product Name:
Synonyms: 6-Chloro-2-methyl-3-pyridineboronic acid; 6-Chloro-2-methylpyridin-3-ylboronic acid

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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
Wear protective gloves/protective clothing/eye protection/face protection
P280:
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.
6-Chloro-2-methylpyridine-3-boronic acid
Ingredient name:
CAS number: 913836-15-4

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H7BClNO2
Molecular weight: 171.4

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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.

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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：

  6-氯-2-甲基吡啶-3-硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 6-methyl-5-(6-(trifluoromethyl)-1H-indazol-4-yl)picolinonitrile
  参考文献：
  名称：

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

  摘要：

  公开了Formula 1的化合物及其药用盐，其中R1、R2、R3、R4、R5和R6在规范中有定义。本公开还涉及制备Formula 1化合物的材料和方法，含有这些化合物的药物组合物，以及它们用于治疗肥胖和与MetAP2相关的疾病、紊乱和症状的用途。

  公开号：

  WO2013130855A1
• 作为产物：
  描述：

  硼酸三甲酯 、 5-溴-2-氯-6-甲基吡啶 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以42 g的产率得到6-氯-2-甲基吡啶-3-硼酸
  参考文献：
  名称：

  MC4R拮抗剂化合物、药物组合物及其在医药上的应用

  摘要：

  一种式I所示的化合物及其消旋体、立体异构体、互变异构体、同位素标记物、氮氧化物、溶剂化物、多晶型物、代谢产物、酯、前药或其药学上可接受的盐。该类化合物具有良好的MC4R拮抗活性，安全性良好，且提高了跨膜活性和药物生物利用度，可作为诊断、预防和/或治疗MC4R受体介导的疾病或病症的药物。

  公开号：

  WO2024104452A1

文献信息

• [EN] 4-PHENOXYMETHYLPIPERIDINES AS MODULATORS OF GPR119 ACTIVITY<br/>[FR] 4-PHÉNOXYMÉTHYLPIPÉRIDINES COMME MODULATEURS DE L'ACTIVITÉ DE GPR119
  申请人：IRM LLC

  公开号：WO2010006191A1

  公开（公告）日：2010-01-14

  The present invention provides compounds of Formula I, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent; diseases or disorders associated with the activity of GPR119.

  本发明提供了一种具有I式化合物的药物组合物，以及使用这种化合物来治疗或预防与GPR119活性相关的疾病或紊乱的方法。
• 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES
  申请人：Muehlebach Michel

  公开号：US20100210466A1

  公开（公告）日：2010-08-19

  Pyrandione, thiopyrandione and cyclohexanetrione compounds, which are suitable for use as herbicides.

  Pyrandione，thiopyrandione和cyclohexanetrione化合物，适用于作为除草剂。
• Compounds, pharmaceutical compositions and uses thereof
  申请人：HIMMELSBACH Frank

  公开号：US20120322784A1

  公开（公告）日：2012-12-20

  The present invention relates to compounds of formula I, wherein the groups R 1 , L P , L Q , X 1 , X 2 , X 3 , Ar and n are as defined in the application, which have valuable pharmacological properties, and in particular bind to the GPR119 receptor and modulate its activity.

  本发明涉及公式I的化合物，其中R1、LP、LQ、X1、X2、X3、Ar和n的定义如申请中所述，具有有价值的药理学特性，特别是与GPR119受体结合并调节其活性。
• 4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides
  申请人：Mathews Christopher John

  公开号：US08680012B2

  公开（公告）日：2014-03-25

  Pyrandione, thiopyrandione and cyclohexanetrione compounds, which are suitable for use as herbicides.

  Pyrandione，thiopyrandione和cyclohexanetrione化合物，适用于作为除草剂。
• INDAZOLE DERIVATIVES
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20150005232A1

  公开（公告）日：2015-01-01

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating obesity and related diseases, disorders, and conditions associated with MetAP2.

  本发明涉及公式1的化合物及其药学上可接受的盐，其中R1、R2、R3、R4、R5和R6在规范中有定义。本发明还涉及制备公式1化合物的材料和方法，以及包含它们的制药组合物，并用于治疗肥胖症以及与MetAP2相关的疾病、失调和病症的用途。