2,4-二甲基-5-硝基吡啶 | 1074-99-3

• 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: 2,4-二甲基-5-硝基吡啶
• 英文名称: 2,4-dimethyl-5-nitropyridine
• 英文别名: 5-nitro-2,4-lutidine；5-Nitro-2,4-lutidin；5-nitro-2,4-dimethylpyridine
• CAS: 1074-99-3
• 化学式: C₇H₈N₂O₂
• mdl: MFCD05982051
• 分子量: 152.153
• InChiKey: GMAJNANLBOHCAU-UHFFFAOYSA-N

物化性质

• 熔点：
  20.5 °C
• 沸点：
  135-140 °C(Press: 12 Torr)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Dimethyl-5-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: 2,4-Dimethyl-5-nitropyridine
CAS number: 1074-99-3

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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: C7H8N2O2
Molecular weight: 152.2

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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：

  2,4-二甲基-5-硝基吡啶 在 palladium on activated charcoal 硫酸 、 氢气 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 4,6-二甲基-3-吡啶醇
  参考文献：
  名称：

  3-和5-羟基-4-甲基吡啶-2-羧甲醛硫代半脲酮的合成及其抗肿瘤活性。

  摘要：

  为了开发具有临床实用性的α-（N）-杂环羧醛硫代半碳酰胺，两个类似物3-羟基-4-甲基吡啶-2-羧醛硫代半碳酮（3-HMP）和5-羟基-4-甲基吡啶-2通过两种不同的方法设计和合成了5-羟基吡啶-2-羧甲醛硫代半碳酮（5-HP）的-甲醛甲醛硫代半碳酮（5-HMP）。在携带L1210白血病的小鼠中，3-HMP和5-HMP均显示出比其各自的母体化合物3-羟基吡啶-2-羧甲醛硫半乳糖和5-HP更好的抗肿瘤活性。

  DOI：

  10.1021/jm00098a011
• 作为产物：
  描述：

  2,4-二甲基吡啶 在 硫酸 、 potassium nitrate 作用下， 反应 16.0h， 以17%的产率得到2,4-二甲基-5-硝基吡啶
  参考文献：
  名称：

  一系列腺苷A 3受体激动剂的合成†

  摘要：

  一系列的1'-（6-氨基嘌呤-9-基）-1'-脱氧-N-甲基-β - D-核呋喃核糖酰胺，其特征为2-二烷基氨基-7-甲基恶唑并[4,5- b ]吡啶-已经合成了用于筛选为选择性腺苷A 3受体激动剂的感兴趣的N 6上的5-基甲基取代基。这项工作涉及与已知的1'-（6-氯嘌呤-9-基）-1'-脱氧偶联的2-二烷基氨基-5-氨基甲基-7-甲基恶唑并[4,5- b ]吡啶和类似物的合成。- ñ -甲基- β- d -ribofuranuronamide。通过2,4-二甲基吡啶N的区域选择性官能化合成恶唑并[4,5- b ]吡啶-氧化物。发现这些反应的区域选择性取决于与2-二甲基氨基-5,7-二甲基恶唑并[4,5- b ]吡啶-N-氧化物在与三氟乙酸反应时在7-甲基上进行区域选择性官能化的杂环的性质。与4，6-二甲基-3-羟基吡啶-N-氧化物与乙酸酐的反应相反，后者导致6-甲基官能化。为了优化对A

  DOI：

  10.1039/c6ob00244g

文献信息

• Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease
  申请人：——

  公开号：US20030105089A1

  公开（公告）日：2003-06-05

  The invention provides compounds of Formula I: 1 which may be in the form of pharmaceutical acceptable salts or compositions, are useful in treating diseases or conditions in which &agr;7 nicotinic acetylcholine receptors (nAChRs) are known to be involved.

  这项发明提供了Formula I的化合物： 1 这些化合物可以是药用可接受的盐或组合物的形式，对治疗涉及α7尼古丁型乙酰胆碱受体(nAChRs)的疾病或症状是有用的。
• Thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06610692B1

  公开（公告）日：2003-08-26

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, wherein b is NY or O; c is CY2 or N; d is CY3 or N; e is CY4 or N; f is CY5 or N; g is CY6 or N; Y4, Y5, and Y6 are independently hydrogen, C1-4 alkyl, or halogen; Y1 and Y2 are independently hydrogen, C1-4 alkyl, C3-7 cycloalkyl, halogen, NH2, OH or C1-4 alkoxy, and Y3 is hydrogen, C1-4 alkyl, C3-7 cycloalkyl, halogen, —CN, NH2, OH or C1-4 alkoxy; A is and W, W1, R1, R3, R4, R5, X and Z are defined in the specification.

  发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构：或其药学上可接受的盐，其中b为NY或O；c为CY2或N；d为CY3或N；e为CY4或N；f为CY5或N；g为CY6或N；Y4、Y5和Y6独立地为氢、C1-4烷基或卤素；Y1和Y2独立地为氢、C1-4烷基、C3-7环烷基、卤素、NH2、OH或C1-4烷氧基，Y3为氢、C1-4烷基、C3-7环烷基、卤素、—CN、NH2、OH或C1-4烷氧基；A为，并且W、W1、R1、R3、R4、R5、X和Z在规范中有定义。
• Use of EP4 receptor ligands in the treatment of IL-6 involved diseases
  申请人：——

  公开号：US20030236260A1

  公开（公告）日：2003-12-25

  Methods of treating IL-6 involved diseases with EP4 receptor ligands, including EP4 receptor antagonists. Assays to determine the effect of test compounds on PGE2-induced whole blood cells activation.

  治疗IL-6相关疾病的方法涉及EP4受体配体，包括EP4受体拮抗剂。用于确定试验化合物对PGE2诱导的全血细胞活化效果的测定。
• Preparation of nitropyridines by nitration of pyridines with nitric acid
  作者：Alan R. Katritzky、Eric F. V. Scriven、Suman Majumder、Rena G. Akhmedova、Anatoliy V. Vakulenko、Novruz G. Akhmedov、Ramiah Murugan、Khalil A. Abboud

  DOI：10.1039/b413285h

  日期：——

  Nitration of pyridines 1a-o with nitric acid in trifluoroacetic anhydride, gave the corresponding 3-nitropyridines 6a-n in yields of 10-83%.

  在三氟乙酸酐中用硝酸硝化吡啶1a-o，得到相应的3-硝基吡啶6a-n，产率为10-83％。
• Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease
  申请人：——

  公开号：US20030045540A1

  公开（公告）日：2003-03-06

  The invention provides compounds of Formula I: 1 where in W is 2 These compounds may be in the form of pharmaceutical salts or compositions, racemic mixtures, or pure enantiomers thereof. The compounds of Formula I are useful to treat diseases or conditions in which &agr;7 is known to be involved.

  这项发明提供了Formula I的化合物： 其中W为 这些化合物可以是药用盐或组合物的形式，也可以是消旋混合物或其纯对映体。Formula I的化合物可用于治疗已知涉及α7的疾病或症状。