2-羟基吡啶-5-醛 | 106984-91-2

• 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-羟基吡啶-5-醛
• 中文别名: 2-羟基-5-吡啶甲醛；6-羟基吡啶-3-甲醛；6-羟基烟醛；6-羟基-3-吡啶甲醛；2-羟基-5-甲酰基吡啶；2-羟基吡啶-5-甲醛
• 英文名称: 6-hydroxynicotinaldehyde
• 英文别名: 6-hydroxypyridine-3-carbaldehyde；6-oxo-1H-pyridine-3-carbaldehyde
• CAS: 106984-91-2
• 化学式: C₆H₅NO₂
• 分子量: 123.111
• InChiKey: BUMAFTGGYPBHHK-UHFFFAOYSA-N

物化性质

• 熔点：
  216-220°C
• 沸点：
  333.7±42.0 °C(Predicted)
• 密度：
  1.365±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  温度：2-8°C，保持惰性气体氛围。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H317: May cause an allergic skin reaction
H319: Causes serious eye irritation
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Oxo-1,6-dihydro-pyridine-3-carbaldehyde
CAS number: 106984-91-2

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels.

---

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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H5NO2
Molecular weight: 123.1

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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-羟基吡啶-5-醛 在 六氯环三磷腈 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  席夫碱磷腈双基结构阻燃剂、改性聚氨酯阻燃剂合成方法

  摘要：

  本发明公开了席夫碱磷腈双基结构阻燃剂合成方法，包括S1.将六氯环三磷腈与含羟基和活性羰基的化合物、强碱弱酸盐、溶剂反应制备含磷腈中间体；S2.将S1中制得的含磷腈中间体与醇胺类化合物、溶剂反应，制得含席夫碱磷腈双基结构阻燃剂；改性聚氨酯阻燃剂合成方法为将制得的所述席夫碱磷腈双基结构阻燃剂用于水性聚氨酯，制备出含有端羟基含席夫碱磷腈双基结构的水性聚氨酯阻燃剂。席夫碱磷腈双基结构阻燃剂能够有效的提高基材的阻燃性和抗熔滴性；改性聚氨酯阻燃剂结构中含有的席夫碱结构具有一定的稳定性，可以促进熔体的交联和残碳的形成，制备得到的阻燃材料抗熔滴性有所改善，磷腈环中的氮和磷两种元素可以协同阻燃，具有良好的阻燃效果。

  公开号：

  CN110563765B
• 作为产物：
  描述：

  2,5-二溴吡啶 在 正丁基锂 、 氢溴酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.0h， 生成 2-羟基吡啶-5-醛
  参考文献：
  名称：

  氮杂胸腺嘧啶衍生物的电化学氧化与阴离子氧化

  摘要：

  Pymetrozine (1) 通过用氧捕获其二价阴离子，然后用亚铁盐还原，以低到中等产率转化为半胺 2。Pymetrozines 18 和 19 未能进行这种类型的氧化。所有三种吡蚜酮均在 C5 处被电化学氧化为甲基半胺 20、21 和 22。20 到 2 的水解在酸或碱催化条件下以优异的产率完成，而甲基半缩醛 21 和 22 的水解最好在碱性条件下进行。pymetrozine 1、半胺类 2 和 3 的土壤代谢物以中等规模制备，产量极好。线性扫描伏安法数据和制备规模电化学条件是为前体吡蚜酮提供的。为所有新化合物提供完整的实验和光谱数据，并讨论了烷基酰胺的阴离子氧化与电化学氧化的相对优点。由于潜在的爆炸危险，对大规模阴离子氧化条件的描述提供了警告说明。

  DOI：

  10.1021/ja9711122

文献信息

• [EN] HETEROARYL INHIBITORS OF PAD4<br/>[FR] INHIBITEURS HÉTÉROARYLES DE PAD4
  申请人：PADLOCK THERAPEUTICS INC

  公开号：WO2018049296A1

  公开（公告）日：2018-03-15

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.

  本发明提供了作为PAD4抑制剂有用的化合物，其组合物以及治疗与PAD4相关疾病的方法。
• Propionic Acid Derivatives and Methods of Use Thereof
  申请人：Biediger Ronald J.

  公开号：US20180312523A1

  公开（公告）日：2018-11-01

  Provided herein are compounds and pharmaceutical compositions of formula I where R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described herein. Also provided pharmaceutically acceptable salts or stereoisomers of these compounds. In addition methods are provided for inhibiting the binding of an integrin to treat various pathophysiological conditions.

  本文提供了公式I的化合物和药物组合物，其中R1、R2、R3、R4、R5和R6如本文所述。还提供了这些化合物的药用可接受盐或立体异构体。此外，还提供了用于抑制整合素结合以治疗各种病理生理条件的方法。
• [EN] MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS<br/>[FR] MULTIPLES A(NTA)GONISTES DE D2/ANTAGONISTES DE H3 POUR LE TRAITEMENT DE TROUBLES ASSOCIÉS AU SNC
  申请人：AAPA B V

  公开号：WO2015069110A1

  公开（公告）日：2015-05-14

  The present invention relates to compounds compound according to Formula (III); and pharmaceutically acceptable salts, hydrates and solvates thereof. These compounds have D2receptor antagonist/(partial) agonist effects and H3antagonistic effects, pharmaceutical compositions thereof, and methods of using them for application in the prophylaxis or treatment of CNS disorders.

  本发明涉及按照式（III）的化合物；以及其药学上可接受的盐、水合物和溶剂合物。这些化合物具有D2受体拮抗/(部分)激动剂效应和H3拮抗效应，以及其药物组合物，以及将其用于预防或治疗中枢神经系统疾病的方法。
• [EN] AGONISTS OF GPR40<br/>[FR] AGONISTES DE GPR40
  申请人：CONNEXIOS LIFE SCIENCES PVT LTD

  公开号：WO2012011125A1

  公开（公告）日：2012-01-26

  The present invention relates to compounds that have the ability to modulate the activity of GPR40 and are therefore useful in the treatment of GPR40 related disorders. In addition the invention relates to the compounds, methods for their preparation, pharmaceutical compositions containing the compounds and the uses of these compounds in the treatment of certain disorders related to GPR40 activity.

  本发明涉及具有调节GPR40活性能力的化合物，因此在治疗与GPR40相关的疾病方面具有用处。此外，该发明涉及这些化合物、其制备方法、含有这些化合物的药物组合物以及在治疗与GPR40活性相关的某些疾病方面使用这些化合物的用途。
• [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。