2-甲氧基-3-氨基-4-甲基吡啶 | 76005-99-7

• 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: 2-甲氧基-3-氨基-4-甲基吡啶
• 英文名称: 3-amino-2-methoxy-4-methylpyridine
• 英文别名: 2-methoxy-4-methylpyridin-3-amine；2-methoxy-3-amino-4-methylpyridine；3-Amino-2-methoxy-4-picoline
• CAS: 76005-99-7
• 化学式: C₇H₁₀N₂O
• 分子量: 138.169
• InChiKey: IEJSXJLVJOGKMB-UHFFFAOYSA-N

物化性质

• 沸点：
  265℃
• 密度：
  1.103
• 闪点：
  114℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-2-methoxy-4-picoline
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: 3-Amino-2-methoxy-4-picoline
CAS number: 76005-99-7

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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, 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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H10N2O
Molecular weight: 138.2

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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-甲氧基-3-氨基-4-甲基吡啶 在 N-溴代丁二酰亚胺(NBS) 、 potassium acetate 、 吡啶盐酸盐 、 乙酸酐 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.75h， 生成 3-Bromo-1H-pyrazolo[3,4-c]pyridin-7(6H)-one
  参考文献：
  名称：

  一种吡唑并吡啶类化合物及其制备方法

  摘要：

  本发明涉及一种吡唑并吡啶类化合物及其制备方法，该化合物为3-溴-1H-吡唑并[3,4-c]吡啶-7(6H)-酮，制备方法如下：(1)以化合物12-氯-3-氨基-4甲基吡啶为起始原料，(1)在碘化亚铜催化下，用甲醇钠将2-氯-3-氨基-4甲基吡啶醚化；(2)用亚硝酸异戊酯关吡唑环；(3)用NBS在吡唑3位上溴；(4)用吡啶盐酸盐在高温下脱甲氧基得到酚(为混合物难以分离)；(5)将上述得到混合物上乙酰基保护以便于分离纯化；(6)用碳酸钾做碱脱乙酰基得到终产物；所述制备方法对反应过程中的难以纯化的混合物通过采用先上保护再脱保护的方法，使其便于分离纯化，解决了中间产物的不稳定性带来的纯化难题。

  公开号：

  CN103992318B
• 作为产物：
  描述：

  2-甲氧基-3-硝基-4-甲基吡啶 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 为溶剂， 生成 2-甲氧基-3-氨基-4-甲基吡啶
  参考文献：
  名称：

  一些新型无环C-核苷的合成和抗病毒活性评估。

  摘要：

  描述了新颖的5-氨基或7-羟基取代的吡唑并[4，3-b]吡啶和吡唑并[3，4-c]吡啶无环C-核苷的制备。它们的合成是通过适当取代的锂甲基吡啶与2-苄氧基乙氧基甲基氯化物的缩合，然后进行吡唑环环化来进行的。评估了这些化合物对多种病毒的抗病毒活性，但发现它们在亚毒性浓度下无活性。

  DOI：

  10.1248/cpb.56.775

文献信息

• [EN] 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH<br/>[FR] 1,2,4-TRIAZOLONES TRISUBSTITUÉES EN POSITION 2, 4 ET 5, UTILES EN TANT QU'INHIBITEURS DE DHODH
  申请人：BAYER AG

  公开号：WO2018077923A1

  公开（公告）日：2018-05-03

  The present invention provides triazolone compounds compounds of general formula (I) : in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

  本发明提供了一般式(I)的三唑酮化合物，其中R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖性疾病的药物组合物，作为唯一药剂或与其他活性成分结合使用。
• Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4]
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US05532358A1

  公开（公告）日：1996-07-02

  A method for preparing certain 4-alkyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-ones, which employs the following reaction scheme: ##STR1##

  一种制备特定的4-烷基-5,11-二氢-6H-二吡啶并[3,2-b:2',3'-e][1,4]二氮杂环己酮的方法，采用以下反应方案：##STR1##
• [EN] DIHYDROOROTATE DEHYDROGENASE INHIBITORS<br/>[FR] INHIBITEURS DE DIHYDROOROTATE DÉSHYDROGÉNASE
  申请人：JANSSEN BIOTECH INC

  公开号：WO2020144638A1

  公开（公告）日：2020-07-16

  Disclosed are compounds, compositions and methods for treating diseases, disorders, or medical conditions that are affected by the modulation of DHODH. Such compounds are represented by Formula (I) as follows: wherein R1a, R1b, R2, and R3, are defined herein.

  揭示了一种通过调节DHODH来治疗受影响的疾病、疾病或医疗状况的化合物、组合物和方法。这些化合物由以下式（I）表示：其中R1a、R1b、R2和R3在此处定义。
• KRAS G12C抑制剂及其在医药上的应用
  申请人：贝达药业股份有限公司

  公开号：CN112390796B

  公开（公告）日：2023-06-27

  本发明涉及一种新型化合物，其具有KRAS G12C调节活性。本发明还涉及这些化合物的制备方法以及包含其的药物组合物。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243533A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GIcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这种化合物的药物组合物，制备这种化合物和组合物的方法，以及利用这种化合物和组合物预防和治疗抑制OGA有益的疾病，如tau病变，特别是阿尔茨海默病或进行性上核性麻痹症；以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩侧索硬化或颞叶前叶痴呆症。