2-溴-4-甲氧基吡啶 | 89488-29-9

• 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 - 有机氧化合物
• 中文名称: 2-溴-4-甲氧基吡啶
• 中文别名: 2-溴-4-甲氧基嘧啶；溴-4-甲氧基吡啶
• 英文名称: 2-bromo-4-methoxypyridine
• 英文别名: 2-Brom-4-methoxypyridin；4-methoxy-2-bromopyridine
• CAS: 89488-29-9
• 化学式: C₆H₆BrNO
• 分子量: 188.024
• InChiKey: AWBDARKONATUHX-UHFFFAOYSA-N

物化性质

• 沸点：
  120-121 °C(Press: 10 Torr)
• 密度：
  1.530±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境中保存

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-4-methoxypyridine
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-Bromo-4-methoxypyridine
CAS number: 89488-29-9

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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.
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: C6H6BrNO
Molecular weight: 188.0

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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 bromide.

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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-溴-4-甲氧基吡啶 在 copper(l) iodide 、 sodium azide 、 sodium ascorbate 、 N,N'-二甲基乙二胺 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 生成 4-methoxy-2-(1H-1,2,3-triazol-1-yl)pyridine
  参考文献：
  名称：

  用于催化水氧化的可调谐卡宾铱配合物的化学与电化学氧化的相关性

  摘要：

  基于之前的工作，确定了含有 C,N-二齿螯合三唑亚-吡啶基配体（Cp* = 五甲基环戊二烯基，C 5Me 5 –）的铱 (III) Cp* 配合物是有效的分子水氧化催化剂，一系列基于该基序的设计和合成是为了提高催化活性。修饰特别包括将给电子取代基引入螯合配体的吡啶基单元（H，a；5-OMe，b；4-OMe，c；4-tBu，d；4-NMe 2，e），如以及三唑亚基 C4 位置上的电子活性取代基 (H, 8; COOEt, 9; OEt, 10; OH, 11; COOH, 12)。使用硝酸铈铵 (CAN) 进行的化学氧化表明与提高催化转换频率的给电子基团存在明显的构效关系，尤其是当供体取代基位于三唑基配体片段上时（对于在pyr和OEt取代的三唑基上具有MeO基团的复合物10，TOF max = 2500 h – 1，而没有取代基的母体基准复合物的TOF max = 2500 h – 1） .

  DOI：

  10.1002/ejic.202000090
• 作为产物：
  描述：

  4-甲氧基吡啶 在 正丁基锂 、 N,N-二甲基乙醇胺 、 1,2-二溴四氯乙烷 作用下， 以 正己烷 、 四氢呋喃 为溶剂， 反应 1.0h， 以62%的产率得到2-溴-4-甲氧基吡啶
  参考文献：
  名称：

  Preparation of substituted alkoxypyridines via directed metalation and metal-halogen exchange

  摘要：

  DOI：

  10.24820/ark.5550190.p011.464

文献信息

• 2-Amino-quinazolin-5-ones
  申请人：Bellamacina R. Cornelia

  公开号：US20070027150A1

  公开（公告）日：2007-02-01

  2-Amino-quinazolin-5-one compounds, stereoisomers, tautomers, pharmaceutically acceptable salts, and prodrugs thereof; compositions that include a pharmaceutically acceptable carrier and one or more of the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent. Methods of using the 2-amino-quinazolin-5-one compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of cell proliferative diseases.

  2-氨基喹唑啉-5-酮化合物，立体异构体，互变异构体，药学上可接受的盐及其前药；包括药学上可接受的载体和一种或多种2-氨基喹唑啉-5-酮化合物的组合物，可以单独使用或与至少一种额外治疗剂结合使用。使用2-氨基喹唑啉-5-酮化合物的方法，可以单独使用或与至少一种额外治疗剂结合使用，用于预防或治疗细胞增殖性疾病。
• [EN] COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES<br/>[FR] COMPOSITIONS ET PROCÉDÉS COMPRENANT DES 2-AMINOIMIDAZOLES SUBSTITUÉS
  申请人：CURZA GLOBAL LLC

  公开号：WO2018184019A1

  公开（公告）日：2018-10-04

  The present invention presents 2-(acylamino)imidazoles with therapeutic activity, including selective activity against cancer cells, and compositions comprising them. Methods of using and preparing the 2-(acylamino)imidazoles are also presented.

  本发明提供了具有治疗活性的2-(酰胺基)咪唑，包括对癌细胞具有选择性活性的化合物，并包括这些化合物的组合物。还提供了使用和制备2-(酰胺基)咪唑的方法。
• Palladium-catalysed alkyne alkoxycarbonylation with P,N-chelating ligands revisited: a density functional theory study
  作者：Shahbaz Ahmad、Ashley Lockett、Timothy A. Shuttleworth、Alexandra M. Miles-Hobbs、Paul G. Pringle、Michael Bühl

  DOI：10.1039/c9cp01471c

  日期：——

  the overall computed barrier is 16.8 kcal mol−1. This new mechanism is consistent with all of the experimental data relating to substituent effects on relative reaction rates and branched/linear selectivities, including new results on the methoxycarbonylation of phenylacetylene using (4-Me2N-Py)PPh2 and (6-Cl-Py)PPh2 ligands. This ligand is found to decrease catalytic activity over PyPPh2, thus invalidating

  经修订的原位炔烷氧羰基的基机构通过与hemilabile P上的Pd催化剂，N配体（PyPPh 2，PY = 2-吡啶基）已被充分表征在密度泛函理论的B3PW91-D3 / PCM电平。这条路线的关键中间体是丙烯酰基和η 3 -丙烯-1-酰基配合物容易进行甲醇。使用两个半不稳定的P，N配体并且其中一个或两个都质子化，计算得出的总势垒为16.8 kcal mol -1。这一新机理与所有有关取代基对相对反应速率和支链/线性选择性的影响的实验数据一致，包括使用（4-Me 2N-Py）PPh 2和（6-Cl-Py）PPh 2配体。发现该配体降低了对PyPPh 2的催化活性，从而使先前表征的原位基础机理无效。
• [EN] COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS POUR TRAITER DES MALADIES NEURODÉGÉNÉRATIVES
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2011123674A1

  公开（公告）日：2011-10-06

  The invention provides novel spirotetrahydronaphthalene compounds of Formula α that inhibit β-secretase cleavage of APP and are useful as therapeutic agents for treating neurodegenerative diseases.

  这项发明提供了一种新型的Formula α的螺环四氢萘化合物，可以抑制APP的β-分泌酶裂解，并且可用作治疗神经退行性疾病的治疗剂。
• [EN] CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS<br/>[FR] ENTITÉS CHIMIQUES, COMPOSITIONS ET MÉTHODES PARTICULIÈRES
  申请人：NEUPHARMA INC

  公开号：WO2018035061A1

  公开（公告）日：2018-02-22

  Chemical entities that are kinase inhibitors, pharmaceutical compositions and methods of treatment of cancer are described.

  化学实体、药物组合物及其用于治疗癌症的方法，所述化学实体为激酶抑制剂。