5-甲氧基吡啶-2-甲醇 | 127978-70-5

• 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 - 有机氧化合物
• 中文名称: 5-甲氧基吡啶-2-甲醇
• 中文别名: (5-甲氧基吡啶-2-基)甲醇
• 英文名称: (5-methoxypyridin-2-yl)methanol
• 英文别名: (5-methoxy-2-pyridyl)methanol
• CAS: 127978-70-5
• 化学式: C₇H₉NO₂
• 分子量: 139.154
• InChiKey: YSGIZFIQWAPBLG-UHFFFAOYSA-N

物化性质

• 沸点：
  262℃
• 密度：
  1.155
• 闪点：
  112℃

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  42.4
• 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：
  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: (5-Methoxypyridin-2-yl)methanol
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: (5-Methoxypyridin-2-yl)methanol
CAS number: 127978-70-5

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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: C7H9NO2
Molecular weight: 139.2

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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：

  5-甲氧基吡啶-2-甲醇 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 18.0h， 以75%的产率得到5-甲氧基吡啶-2-甲醛
  参考文献：
  名称：

  3-氨基-3-（5-羟基-2-吡啶基）丙酸（R）-（+）-甲酯的合成，它是1-氮杂酪氨酸的类似物

  摘要：

  的简明不对称合成（- [R ）- （+） - 3-氨基-3-（5-羟基-2-吡啶基）丙酸甲酯2，β-氨基-1- azatyrosine的酸类似物1从商购的起始（ -描述了以良好的总收率得到的-）-安徒生试剂（-）- 3。

  DOI：

  10.1016/s0957-4166(01)00186-0
• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 在 sodium hydroxide 、 n-Bu₄Br 、 间氯过氧苯甲酸 、 三氟乙酸酐 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 20.5h， 生成 5-甲氧基吡啶-2-甲醇
  参考文献：
  名称：

  3-氨基-3-（5-羟基-2-吡啶基）丙酸（R）-（+）-甲酯的合成，它是1-氮杂酪氨酸的类似物

  摘要：

  的简明不对称合成（- [R ）- （+） - 3-氨基-3-（5-羟基-2-吡啶基）丙酸甲酯2，β-氨基-1- azatyrosine的酸类似物1从商购的起始（ -描述了以良好的总收率得到的-）-安徒生试剂（-）- 3。

  DOI：

  10.1016/s0957-4166(01)00186-0

文献信息

• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• [EN] IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST<br/>[FR] DÉRIVÉS D'IMIDAZO[2,1-F] [1, 2, 4] TRIAZIN-4-AMINE UTILISÉS EN TANT QU'AGONISTES DE TLR7
  申请人：BEIGENE LTD

  公开号：WO2020160711A1

  公开（公告）日：2020-08-13

  Disclosed herein is an imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof useful as a TLR7 agonist, and a pharmaceutical composition comprising the same. Also disclosed herein is a method of treating cancer using the imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof as TLR7 agonist.

  披露的是一种咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐，用作TLR7激动剂，以及包含该化合物的药物组合物。还披露了一种使用咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐作为TLR7激动剂来治疗癌症的方法。
• RADIOLABELLED PDE10 LIGANDS
  申请人：Andrés-Gil José Ignacio

  公开号：US20120213703A1

  公开（公告）日：2012-08-23

  The present invention relates to novel, selective, radiolabelled PDE10 ligands which are useful for imaging and quantifying the PDE10A enzyme in tissues, using positron-emission tomography (PET). The invention is also directed to compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for imaging a tissue, cells or a host, in vitro or in vivo.

  本发明涉及新型的、选择性的、放射性标记的PDE10配体，这些配体可用于通过正电子发射断层扫描（PET）对组织中的PDE10A酶进行成像和定量。该发明还涉及包含这些化合物的组合物、制备这些化合物和组合物的方法，以及将这些化合物和组合物用于在体外或体内成像组织、细胞或宿主的应用。
• Synthesis, In Vivo Occupancy, and Radiolabeling of Potent Phosphodiesterase Subtype-10 Inhibitors as Candidates for Positron Emission Tomography Imaging
  作者：José-Ignacio Andrés、Meri De Angelis、Jesús Alcázar、Laura Iturrino、Xavier Langlois、Stefanie Dedeurwaerdere、Ilse Lenaerts、Greet Vanhoof、Sofie Celen、Guy Bormans

  DOI：10.1021/jm200536d

  日期：2011.8.25

  for in vivo imaging using positron emission tomography (PET). We now describe the synthesis and biological evaluation of a series of related pyridinyl analogues that exhibit high potency and selectivity as PDE10A inhibitors. The most interesting compounds were injected in rats to measure their levels of PDE10A occupancy through an in vivo occupancy assay. The 3,5-dimethylpyridine derivative 3 and the

  我们最近报道了磷酸二酯酶10A（PDE10A）抑制剂2- [4- [1-（2- [ 18 [ ] F]氟乙基）-4-吡啶-4-4-基-1 H-吡唑-3-基]-苯氧基甲基]-喹啉（[ 18 F] 1a）是使用正电子发射断层扫描（PET）进行体内成像的有前途的候选物。现在，我们描述了一系列相关的吡啶基类似物的合成和生物学评估，这些吡啶基类似物作为PDE10A抑制剂具有很高的效力和选择性。将最有趣的化合物注射到大鼠中，以通过体内占有率测定法测量其PDE10A占有率水平。3,5-二甲基吡啶衍生物3和5-甲氧基吡啶衍生物4的可比性与1a。因为这些衍生物显示出较低的体外活性，并且比1a的亲脂性略低，所以我们假设它们可以表现为更好的PET成像配体。放射性合成化合物[ 18 F] 3，[ 18 F] 4和[ 11 C] 4并在大鼠中进行生物分布研究，作为在脑中对PDE10A进行体内成像的候选PET放射性配体进行初步评估。
• [EN] NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS<br/>[FR] NOUVEAUX COMPOSÉS DE TÉTRAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DE LA TUBERCULOSE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019034729A1

  公开（公告）日：2019-02-21

  The invention relates to a compound of Formula (I) or a pharmaceutically acceptable salt thereof and their use in therapy, for example in the treatment of mycobacterial infections or in the treatment of diseases caused by mycobacterium, such as tuberculosis.

  这项发明涉及到式（I）的化合物或其药用盐以及它们在治疗中的应用，例如在治疗分枝杆菌感染或治疗由分枝杆菌引起的疾病，如结核病。