2-氯-5-甲基-4-硝基吡啶 | 97944-45-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-氯-5-甲基-4-硝基吡啶
• 中文别名: 2-氯-4-硝基-5-甲基吡啶
• 英文名称: 2-chloro-5-methyl-4-nitropyridine
• CAS: 97944-45-1
• 化学式: C₆H₅ClN₂O₂
• 分子量: 172.571
• InChiKey: PEGDFBBVKXPIME-UHFFFAOYSA-N

物化性质

• 沸点：
  130℃ (22 Torr)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-5-methyl-4-nitropyridine
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-Chloro-5-methyl-4-nitropyridine
CAS number: 97944-45-1

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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, refrigerated.
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: C6H5ClN2O2
Molecular weight: 172.6

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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

制备方法与用途

2-氯-4-硝基-5-甲基吡啶可作为医药合成中间体，例如用于制备化合物2-(4-溴苯基)-6-氯-2,3-二氢呋喃[3,2-c]吡啶及6-氯-2-(1-甲基-1H-吲哚-2-基)-2,3-二氢呋喃[3,2-c]吡啶。

反应信息

• 作为反应物：
  描述：

  2-氯-5-甲基-4-硝基吡啶 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以92%的产率得到2-氯-4-氨基-5-甲基吡啶
  参考文献：
  名称：

  一种选择性钠通道调节剂及其制备和应用

  摘要：

  本发明提供了作为选择性钠通道调节剂的化合物及合成和使用方法，具体地，本发明提供了一种如式(I)所示的化合物，及其制备方法和作为选择性钠通道调节剂的用途。所述的化合物表现出作为钠通道调节剂的优异活性。

  公开号：

  CN113045487A
• 作为产物：
  描述：

  2-氯-4-氨基-5-甲基吡啶 以40%的产率得到
  参考文献：
  名称：

  PUSZKO, A., PR. NAUK. AE WROCLAWIU, 1984, N 278, 169-173

  摘要：

  DOI：

文献信息

• A concise synthesis of functionalized 2,3-dihydrofuro[3,2-b], [3,2-c], and [2,3-b]pyridines
  作者：Jeffrey T. Kuethe

  DOI：10.1016/j.tet.2019.07.004

  日期：2019.8

  A strategy for the efficient and rapid one-pot synthesis of 2-aryl-2,3-dihydrofuro[3,2-b], [3,2-c], and [2,3-b]pyridines from readily available o-nitropicolines and aromatic aldehydes is described. The key transformation involves reaction of o-nitropicolines with aromatic aldehydes in the presence of TBAF and Hünig's base giving rise to functionalized products having molecular complexity suitable for

  从容易获得的邻域高效，快速一锅合成2-芳基-2,3-二氢呋喃[3,2- b ]，[3,2- c ]和[2,3- b ]吡啶的策略描述了硝基苯胺和芳香醛。关键的转化包括在TBAF和Hünig碱的存在下邻硝基苯胺与芳族醛的反应，从而产生具有分子复杂性的官能化产物，适合进一步操作。
• 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas Daniel

  公开号：US20100099713A1

  公开（公告）日：2010-04-22

  Provided are compounds having the Formula I or salts thereof, wherein R 2 , L, R 3 , R 11 , D 2 and R 13 are as defined herein, that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes mellitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

  提供的化合物具有I式或其盐，其中R2、L、R3、R11、D2和R13的定义如本文所述，可用于治疗和/或预防由葡萄糖激酶活性不足引起的疾病，如糖尿病。还提供了治疗或预防由葡萄糖激酶活性不足或可以通过激活葡萄糖激酶治疗的疾病和疾病的方法。
• SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS
  申请人：CONFLUENCE LIFE SCIENCES INC.

  公开号：US20140171450A1

  公开（公告）日：2014-06-19

  The present disclosure provides pyridinone-pyridinyl compounds useful in the treatment of p38 kinase mediated diseases, such as lymphoma and auto-inflammatory disease, having the structure of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X and Y are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating p38 kinase mediated diseases using the compound.

  本公开提供了在治疗p38激酶介导的疾病，如淋巴瘤和自身免疫性疾病中有用的吡啶酮-吡啶基化合物，其结构式为公式（I）所示：其中R1、R2、R3、R4、R5、X和Y如详细说明中所定义；包括至少一个化合物的制药组合物；以及使用该化合物治疗p38激酶介导的疾病的方法。
• Pyrrole compounds as inhibitors of ERK protein kinases and pharmaceutical compositions containing these compounds
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2799434A1

  公开（公告）日：2014-11-05

  The present invention relates to compounds useful of inhibitors of protein kinases. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

  本发明涉及可作为蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物，以及使用该组合物治疗各种疾病、病症或失调的方法。
• HETEROARYL-FUSED PYRAZOLO DERIVATIVES
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1720878A1

  公开（公告）日：2006-11-15