3-溴-4-碘吡啶 | 89167-19-1

• 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: 3-溴-4-碘吡啶
• 英文名称: 3-bromo-4-iodopyridine
• CAS: 89167-19-1
• 化学式: C₅H₃BrIN
• mdl: MFCD11110263
• 分子量: 283.894
• InChiKey: LKDNPXCBLVOBRP-UHFFFAOYSA-N

物化性质

• 熔点：
  111-115℃
• 沸点：
  264℃
• 密度：
  2.347
• 闪点：
  114℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

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：
  H315,H319,H335
• 储存条件：
  存储条件为2-8°C，避光，并需保存在惰性气体环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
3-Bromo-4-iodopyridine
Product Name:
Synonyms:

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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.
3-Bromo-4-iodopyridine
Ingredient name:
CAS number: 89167-19-1

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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.
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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H3BrIN
Molecular weight: 283.9

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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, hydrogen bromide, hydrogen Iodide.

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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：

  3-溴-4-碘吡啶 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 正丁基锂 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 359.5h， 生成 [benzene-1,4-bis(2,1-ethynedyil)]bis[3-(4-ethynylpyridine)]
  参考文献：
  名称：

  具有强制的外位金属离子结合位点的第一个脱氢吡啶环戊二烯型环烷的合成和荧光离子传感性能。

  摘要：

  已经合成了新的扭索烷4，其包含具有向外突出的氮供体位点的共轭脱氢吡啶并环戊烯型大环骨架，用于金属离子配位。使用光谱学方法对4的大环结构进行了分配，并通过半经验理论计算表明其以扭曲和手性的基态构象存在。对4和前体11的金属离子结合特性进行的详细光谱研究表明，它们起选择性配位剂的作用，提供了Pd（II）和Hg（II）离子的荧光猝灭输出响应特性。此外，4还通过配位聚合物的沉淀表明存在Fe（II），Co（II），Ni（II）和Ag（I）离子，并表现出可逆的质子触发的荧光猝灭行为。

  DOI：

  10.1002/chem.2003044561
• 作为产物：
  描述：

  3-溴吡啶 在 lithium diisopropyl amide 、 碘 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 5.42h， 以69%的产率得到3-溴-4-碘吡啶
  参考文献：
  名称：

  具有强制的外位金属离子结合位点的第一个脱氢吡啶环戊二烯型环烷的合成和荧光离子传感性能。

  摘要：

  已经合成了新的扭索烷4，其包含具有向外突出的氮供体位点的共轭脱氢吡啶并环戊烯型大环骨架，用于金属离子配位。使用光谱学方法对4的大环结构进行了分配，并通过半经验理论计算表明其以扭曲和手性的基态构象存在。对4和前体11的金属离子结合特性进行的详细光谱研究表明，它们起选择性配位剂的作用，提供了Pd（II）和Hg（II）离子的荧光猝灭输出响应特性。此外，4还通过配位聚合物的沉淀表明存在Fe（II），Co（II），Ni（II）和Ag（I）离子，并表现出可逆的质子触发的荧光猝灭行为。

  DOI：

  10.1002/chem.2003044561

文献信息

• NAPHTHYRIDINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282328A1

  公开（公告）日：2018-10-04

  Naphthyridine compounds and their use as inhibitors of HPK1 are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。
• 신규한 유기화합물, 상기 유기화합물을 포함하는 유기 전계발광 소자용 재료 및 유기 전계발광 소자
  申请人：NANJING TOPTO MATERIALS CO., LTD. 난징고광반도체재료유한회사(520150650957)

  公开号：KR20200108162A

  公开（公告）日：2020-09-17

  본 발명은 화학식 1로 표시되는 신규한 유기화합물, 상기 유기화합물을 포함하는 유기 전계발광 소자용 재료 및 유기 전계발광 소자를 제공한다.

  本发明提供了一种被表示为化学式1的新有机化合物，包括所述有机化合物的有机电致发光器件材料和有机电致发光器件。
• Nucleophilic C–H Etherification of Heteroarenes Enabled by Base-Catalyzed Halogen Transfer
  作者：Thomas R. Puleo、Danielle R. Klaus、Jeffrey S. Bandar

  DOI：10.1021/jacs.1c06481

  日期：2021.8.18

  for the direct C–H etherification of N-heteroarenes. Potassium tert-butoxide catalyzes halogen transfer from 2-halothiophenes to N-heteroarenes to form N-heteroaryl halide intermediates that undergo tandem base-promoted alcohol substitution. Thus, the simple inclusion of inexpensive 2-halothiophenes enables regioselective oxidative coupling of alcohols with 1,3-azoles, pyridines, diazines, and polyazines

  我们报告了N-杂芳烃直接 C-H 醚化的一般方案。叔丁醇钾催化卤素从 2-卤代噻吩转移到N-杂芳烃以形成N-杂芳基卤化物中间体，该中间体经历串联碱促进的醇取代。因此，简单地包含廉价的 2-卤代噻吩能够在碱性反应条件下实现醇与 1,3-唑、吡啶、二嗪和多嗪的区域选择性氧化偶联。
• Deprotonative Metalation of Chloro- and Bromopyridines Using Amido-Based Bimetallic Species and Regioselectivity-Computed CH Acidity Relationships
  作者：Katia Snégaroff、Tan Tai Nguyen、Nada Marquise、Yury S. Halauko、Philip J. Harford、Thierry Roisnel、Vadim E. Matulis、Oleg A. Ivashkevich、Floris Chevallier、Andrew E. H. Wheatley、Philippe C. Gros、Florence Mongin

  DOI：10.1002/chem.201101993

  日期：2011.11.18

  A series of chloro‐ and bromopyridines have been deprotometalated by using a range of 2,2,6,6‐tetramethylpiperidino‐based mixed lithium–metal combinations. Whereas lithium–zinc and lithium–cadmium bases afforded different mono‐ and diiodides after subsequent interception with iodine, complete regioselectivities were observed with the corresponding lithium–copper combination, as demonstrated by subsequent

  通过使用一系列基于2,2,6,6-四甲基哌啶子基的混合锂金属组合，已将一系列氯吡啶和溴吡啶进行了脱金属处理。锂锌和锂镉碱在随后被碘截留后提供不同的一碘化物和二碘化物，而相应的锂铜组合则观察到了完全的区域选择性，随后通过苯甲酰氯的捕集证明了这一点。已经根据底物的CH酸来讨论了所获得的选择性，所述底物的CH酸是在气相中以及通过使用DFTB3LYP方法作为在THF中的溶液而确定的。
• 방향족 화합물 및 이를 포함하는 유기전계발광소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR102191779B1

  公开（公告）日：2020-12-16

  본 발명은 하기 [화학식 1]로 표시되는 방향족 화합물 및 이를 포함하는 유기전계발광소자에 관한 것으로서, 본 발명에 따른 방향족 화합물을 포함하는 유기전계발광소자는 구동전압이 낮고 발광효율이 우수하다. [화학식 1]

  This invention relates to an aromatic compound represented by the following [Chemical Formula 1] and an organic electroluminescent device containing the same, wherein the organic electroluminescent device containing the aromatic compound according to the present invention has a low driving voltage and excellent luminous efficiency. [Chemical Formula 1]