2-甲基-2-(5-硝基-2-吡啶)丙腈 | 1256633-31-4

• 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-甲基-2-(5-硝基-2-吡啶)丙腈
• 中文别名: 2-甲基-2-(5-硝基-2-吡啶基)丙腈
• 英文名称: 2-methyl-2-(5-nitropyridin-2-yl)-propanenitrile
• 英文别名: 2-Methyl-2-(5-nitropyridin-2-YL)propanenitrile
• CAS: 1256633-31-4
• 化学式: C₉H₉N₃O₂
• 分子量: 191.189
• InChiKey: WGTZNLRJXIIZEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methyl-2-(5-nitropyridin-2-yl)propanenitrile
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-Methyl-2-(5-nitropyridin-2-yl)propanenitrile
CAS number: 1256633-31-4

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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: C9H9N3O2
Molecular weight: 191.2

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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.

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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-甲基-2-(5-硝基-2-吡啶)丙腈 在 bis-triphenylphosphine-palladium(II) chloride 、 铁粉 、 sodium hydride 、 sodium carbonate 、 氯化铵 、 caesium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(8-(6-amino-5-(trifluoromethyl)pyridin-3-yl)-1-(6-(2-cyanopropan-2-yl)pyridin-3-yl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-ylidene)cyanamide
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, INTERMEDIATES AND POLYMORPHS THEREOF
  [FR] PROCÉDÉ POUR LA PRÉPARATION DE COMPOSÉS D'IMIDAZO[4,5-C]QUINOLINE SUBSTITUÉS, D'INTERMÉDIAIRES ET DE POLYMORPHES DE CEUX-CI

  摘要：

  本发明涉及一种制备取代咪唑并[4,5-c]喹啉化合物（如所述的化合物I的化合物）及其中间体的方法。本发明还涉及化合物I中包含的化合物的多晶形态及其在治疗增殖性疾病，特别是癌症中的应用。

  公开号：

  WO2015145369A1
• 作为产物：
  描述：

  2-乙腈基-5-硝基吡啶 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.5h， 生成 2-甲基-2-(5-硝基-2-吡啶)丙腈
  参考文献：
  名称：

  [EN] SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES
  [FR] DÉRIVÉS D'IMIDAZOQUINOLINE SUBSTITUÉS

  摘要：

  本发明涉及公式（I）中的取代咪唑并[4,5-c]喹啉衍生物，其中R1、R2和R3如规范中定义，其制备方法，包括本发明化合物的药物组合物，以及它们在治疗由一个或多个激酶介导的疾病或紊乱中的用途，特别是增殖性疾病或紊乱，如癌症。这些化合物也可用于治疗与炎症和血管生成相关的紊乱。

  公开号：

  WO2012077031A1

文献信息

• [EN] FUSED HETEROARYLS AND THEIR USES<br/>[FR] HÉTÉROARYLES CONDENSÉS ET LEURS UTILISATIONS
  申请人：HUTCHISON MEDIPHARMA LTD

  公开号：WO2012034526A1

  公开（公告）日：2012-03-22

  Provided are certain fused heteroaryls, compositions thereof and methods of use therefor.

  提供了某些融合的杂环芳基，以及它们的组成物和使用方法。
• FUSED HETEROARYLS AND THEIR USES
  申请人：Su Weiguo

  公开号：US20130190307A1

  公开（公告）日：2013-07-25

  Provided are certain fused heteroaryls, compositions thereof and methods of use therefor.

  提供了某些融合的杂环芳基，以及它们的组合物和使用方法。
• [EN] SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZOQUINOLINE SUBSTITUÉS À TITRE D'INHIBITEURS DE KINASES
  申请人：PIRAMAL LIFE SCIENCES LTD

  公开号：WO2012007926A1

  公开（公告）日：2012-01-19

  The present invention relates to substituted imidazo[4,5-c]quinoline derivatives, the compounds of formula (I), wherein R1 R2, R3, R4, R5, R6 and R7 are as defined in the specification, processes for their preparation, pharmaceutical compositions comprising compounds of formula (I), and their use in the treatment of diseases or disorders mediated by one or more kinases, particularly proliferative diseases or disorders such as cancer. These compounds can also be used in the treatment of inflammatory diseases and angiogenesis related disorders.

  本发明涉及取代咪唑并[4,5-c]喹啉衍生物，化合物的化学式为（I），其中R1、R2、R3、R4、R5、R6和R7如规范中定义，其制备方法，包括化合物（I）的药物组合物，以及它们在治疗由一个或多个激酶介导的疾病或紊乱中的用途，特别是增殖性疾病或紊乱，如癌症。这些化合物还可用于治疗炎症性疾病和与血管生成相关的紊乱。
• Substituted imidazoquinoline derivatives as kinase inhibitors
  申请人：Kumar Sanjay

  公开号：US09062046B2

  公开（公告）日：2015-06-23

  The present invention relates to substituted imidazo[4,5-c]quinoline derivatives, the compounds of formula (I), wherein R1, R2, R3, R4, R5, R6 and R7 are as defined in the specification, processes for their preparation, pharmaceutical compositions comprising compounds of formula (I), and their use in the treatment of diseases or disorders mediated by one or more kinases, particularly proliferative diseases or disorders such as cancer. These compounds can also be used in the treatment of inflammatory diseases and angiogenesis related disorders.

  本发明涉及取代的咪唑并[4,5-c]喹啉衍生物，化合物的公式(I)，其中R1、R2、R3、R4、R5、R6和R7在规范中定义，它们的制备过程，包括公式(I)化合物的制药组合物和它们在治疗由一个或多个激酶介导的疾病或紊乱，特别是增殖性疾病或紊乱，如癌症中的用途。这些化合物也可用于治疗炎症性疾病和血管生成相关紊乱。
• Substituted Imidazoquinoline Derivatives
  申请人：Kumar Sanjay

  公开号：US20130310374A1

  公开（公告）日：2013-11-21

  The present invention relates to substituted imidazo[4,5-c]quinoline derivatives of formula (I), wherein R 1 , R 2 and R 3 are as defined in the specification, processes for their preparation, pharmaceutical compositions comprising compounds of the present invention and their use in the treatment of diseases or disorders mediated by one or more kinases, particularly proliferative diseases or disorders such as cancer. These compounds can also be used in the treatment of inflammation and angiogenesis related disorders.

  本发明涉及公式(I)的取代的咪唑[4,5-c]喹啉衍生物，其中R1、R2和R3如规范中所定义，其制备过程，包含本发明化合物的药物组合物以及它们在治疗由一个或多个激酶介导的疾病或障碍，特别是增殖性疾病或障碍，如癌症中的用途。这些化合物也可以用于治疗与炎症和血管生成相关的疾病或障碍。