2-甲氧基-3-氯-5-溴吡啶 | 848366-28-9

• 物质功能分类: 医药中间体 - 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: 2-甲氧基-3-氯-5-溴吡啶
• 中文别名: 3-氯-5-溴-2-甲氧基吡啶
• 英文名称: 5-bromo-3-chloro-2-methoxypyridine
• CAS: 848366-28-9
• 化学式: C₆H₅BrClNO
• 分子量: 222.469
• InChiKey: XCHXNAQRMMXBGN-UHFFFAOYSA-N

物化性质

• 熔点：
  56-58℃
• 沸点：
  219.3±35.0 °C(Predicted)
• 密度：
  1.650±0.06 g/cm3(Predicted)
• pKa：
  -1.24±0.20 (Predicted,Most Basic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 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,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-3-chloro-2-methoxypyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromo-3-chloro-2-methoxypyridine
CAS number: 848366-28-9

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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.
Storage: Store in closed vessels.

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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: C6H5BrClNO
Molecular weight: 222.5

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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, 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-甲氧基-3-氯-5-溴吡啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 potassium acetate 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(5'-chloro-6'-methoxy-3-methyl-2,3'-bipyridin-6-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamide
  参考文献：
  名称：

  WO2008/141119

  摘要：

  公开号：
• 作为产物：
  描述：

  5-溴-3-氯-2-氟吡啶 、 sodium methylate 以 甲醇 为溶剂， 反应 16.0h， 以90%的产率得到2-甲氧基-3-氯-5-溴吡啶
  参考文献：
  名称：

  [EN] QUINOXALINE DERIVATIVES
  [FR] DÉRIVÉS DE QUINOXALINE

  摘要：

  本发明涉及符合一般式(I)的化合物，这些化合物作为糖皮质激素受体的调节剂，并可用于治疗和/或预防至少部分由糖皮质激素受体介导的疾病。

  公开号：

  WO2021144439A1

文献信息

• [EN] TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE TÉTRAHYDRO-PYRIDO-PYRIMIDINE
  申请人：NOVARTIS AG

  公开号：WO2012004299A1

  公开（公告）日：2012-01-12

  The invention relates to substituted tetrahydro-pyrido-pyrimidine derivatives of the formula (I), wherein Y, R1, R2 and m are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of the PI3K enzymes.

  这项发明涉及公式（I）中Y、R1、R2和m所定义的替代四氢吡啶嘧啶衍生物。这些化合物适用于治疗由PI3K酶活性介导的疾病或疾病。
• Use of Inhibitors of the Activity or Function of PI3K
  申请人：NOVARTIS AG

  公开号：US20150342951A1

  公开（公告）日：2015-12-03

  The invention relates to new uses of PI3K inhibitors, wherein said inhibitors have an inhibitory action on the PI3K isoform delta for the treatment of immunopathology in a subject suffering from a disease or disorder selected from malaria, leishmaniasis, trypanosomiasis, toxoplasmosis and/or neurocysticercosis, via functional inhibition of TLR9 of the infected subject.

  该发明涉及PI3K抑制剂的新用途，其中所述抑制剂对PI3K同工酶δ具有抑制作用，用于治疗患有疟疾、利什曼病、锥虫病、弓形虫病和/或神经囊虫病等疾病或紊乱的受试者的免疫病理学，通过对感染受试者的TLR9的功能抑制。
• 氮杂吲哚衍生物髓细胞增殖抑制剂及其制备方法与在制药中的应用
  申请人：复旦大学

  公开号：CN113214247A

  公开（公告）日：2021-08-06

  本发明提供式I所示的氮杂吲哚衍生物髓细胞增殖抑制剂，其中R1,R2,R33均具有本发明说明书中所限定的含义。式I化合物可显著抑制以MOLM‑16，HL‑60，MV‑4‑11为代表的髓细胞增殖及其相关病症。本发明提供的式I或其盐或相关药物组合，具有优异的体内外抑制活性、良好的成药性，且生物利用度高，对脏器无明显损伤。因此，式I或其盐及相关药物组合具有巨大的临床应用前景。
• Streamlined Synthesis of Diaminopyridines by Pd‐Catalyzed Ammonia Coupling with Deactivated Amino‐Chloropyridines
  作者：Florian Bourriquen、Antoine Bruneau‐Voisine、Aliénor Jeandin、Etienne Stihle、Serena Fantasia

  DOI：10.1002/chem.201902147

  日期：2019.7.5

  synthetic strategy is the development of an unprecedented palladium‐catalyzed coupling reaction of ammonia with chloropyridines deactivated by the presence of an alkylamino substituent. The coupling reaction was accomplished with very low catalyst loadings under remarkably mild reaction conditions, making the system particularly suitable for both academic and industrial applications. The utility of this methodology

  据报道，高效，经济的两步合成二氨基吡啶是生物活性化合物的基本组成部分。与以前报道的路线相比，其优势包括溴-氯吡啶起始原料的成本和更广泛的可得性，以及可直接获得的扩展的二氨基吡啶区域异构体阵列。该合成策略的关键推动力是开发前所未有的钯催化氨与氯吡啶的偶合反应，该烷基吡啶因存在烷基氨基取代基而失活。偶联反应是在非常温和的反应条件下以极低的催化剂负载量完成的，因此该系统特别适用于学术和工业应用。
• FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR
  申请人：Shao Pengcheng Patrick

  公开号：US20130109649A1

  公开（公告）日：2013-05-02

  Compounds having the structure of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis.

  具有公式I结构的化合物，包括这些化合物的药用盐，是CETP抑制剂，可用于提高HDL-胆固醇，降低LDL-胆固醇，并用于治疗或预防动脉粥样硬化。