2-(2-吡啶基)丙二醛 | 212755-83-4

• 物质功能分类: 化学试剂 - 有机试剂 - 脂肪醛（含缩醛，半缩醛）
• 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-(2-吡啶基)丙二醛
• 中文别名: 2-(2-吡啶)丙二醛
• 英文名称: 2-(pyridin-2-yl)malondialdehyde
• 英文别名: 2-(pyridin-2-yl)malonaldehyde；2-(2-pyridyl)malondialdehyde；2-pyridinylmalonaldehyde；2-(2-pyridinyl)malondialdehyde；2-pyridinylpropanedial；2-pyridin-2-ylpropanedial
• CAS: 212755-83-4
• 化学式: C₈H₇NO₂
• mdl: MFCD00216529
• 分子量: 149.149
• InChiKey: ZQMMLUFYTCOQTB-UHFFFAOYSA-N

物化性质

• 熔点：
  202-205°C
• 沸点：
  270.21°C (rough estimate)
• 密度：
  1.2517 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 海关编码：
  2933399090
• 储存条件：
  存于阴凉干燥处。

SDS

Name:	2-(2-Pyridyl)malondialdehyde Material Safety Data Sheet
Synonym:	None
CAS:	212755-83-4

Section 1 - Chemical Product MSDS Name:2-(2-Pyridyl)malondialdehyde Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
212755-83-4	2-(2-Pyridyl)malondialdehyde	ca 100	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 212755-83-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: pale yellow to orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H7NO2
Molecular Weight: 149.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 212755-83-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2-Pyridyl)malondialdehyde - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 212755-83-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 212755-83-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 212755-83-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(2-吡啶基)丙二醛 在 一水合肼 、 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-(1-(2,3-difluoro-4-nitrophenyl)-1H-pyrazol-4-yl)pyridine
  参考文献：
  名称：

  噁唑烷酮类化合物及其用途

  摘要：

  本发明提供了式VI所示的噁唑烷酮类化合物或其药学上可接受的盐、水合物或晶型。本发明还提供了化合物的制备方法。当前化药领域中，多数改变结构的化合物的活性会变好，但是毒性也会明显增强，无法作为药物使用。本发明所提供的化合物与现有的化合物相比，不仅能够有很好的抗耐药性和抗菌活性，令人意想不到的是，本发明的化合物安全性也更好，更有利于患者的用药安全和治疗。

  公开号：

  CN105399737B
• 作为产物：
  描述：

  2-(2-吡啶)-1,3-丙二醇 在 三氧化硫吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 1.5h， 以34.2%的产率得到2-(2-吡啶基)丙二醛
  参考文献：
  名称：

  新型恶唑烷酮抗菌候选药物的探索性工艺开发和千克级合成

  摘要：

  为大规模制备新型恶唑烷酮抗菌候选药物1，开发了一种简洁，对环境无害且具有成本效益的途径。通过对区域异构体混合物21进行轻度脱氨，可以制备高纯度的关键中间体2-（1-（2-氟-4-硝基苯基）-1 H-吡唑-4-基）吡啶7。通过亲核SNAr反应，通过4-（吡啶-2-基）-1 H-吡唑-3-胺14与1,2-二氟-4-硝基苯的仲胺官能团的选择性C–N偶联制备混合物10在最佳条件下，伯胺基保持完整。通过改变进料方式，可以很好地控制脱氨步骤的气态氮释放速率和反应混合物温度，从而提供安全保障。优化的合成策略1的总收率为27.6％，包括仅通过五个固液分离进行的七个连续转化，显着改善了产物分离的后处理。该策略绕开了涉及任何中间产品以及最终API的耗时且费力的过程。这项研究提出了一种能够快速交付高纯度API的几千克API的方法。

  DOI：

  10.1021/op500030v

文献信息

• Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors
  申请人：——

  公开号：US20020010183A1

  公开（公告）日：2002-01-24

  The invention relates to novel pyrrolopyridinone derivatives of the formula (I) or (II): 1 pharmaceutical compositions containing the compounds and their use for the treatment of sexual dysfunction.

  这项发明涉及公式(I)或(II)的新型吡咯吡啶酮衍生物： 1 含有这些化合物的药物组合物及其用于治疗性功能障碍的用途。
• Synthesis and biological evaluation of novel pyrazolo[1,5-a]pyrimidines: Discovery of a selective inhibitor of JAK1 JH2 pseudokinase and VPS34
  作者：Justin D. Singleton、Reuben Dass、Nathaniel R. Neubert、Rachel M. Smith、Zak Webber、Marc D.H. Hansen、Matt A. Peterson

  DOI：10.1016/j.bmcl.2019.126813

  日期：2020.1

  A series of novel 3,6-di-substituted or 3-substituted pyrazolo[1,5-a]pyrimidines were prepared via a microwave-assisted approach that generated a broad array of derivatives in good yields (20-93%, ave. = 59%). The straightforward synthesis involved sequential treatment of commercially-available acetonitrile derivatives with DMF-dimethylacetal (120 °C, 20 min), followed by treatment with NH2NH2·HBr

  通过微波辅助方法制备了一系列新颖的3,6-二取代或3-取代的吡唑并[1,5-a]嘧啶，该方法以良好的收率（20-93％ave）产生了广泛的衍生物。 = 59％）。简单的合成方法包括依次用DMF-二甲基乙缩醛（120°C，20分钟）处理市售的乙腈衍生物，然后用NH2NH2·HBr（120°C，20分钟）和1,1,3,3-处理四甲氧基丙烷或2-芳基取代的丙二醛（120°C，20分钟）。在体外筛选化合物针对MCF7乳腺癌和/或A2780卵巢癌细胞系的抗有丝分裂活性。活性最高的化合物的EC50值为0.5至4.3μM，
• Oxazolidinone Compounds and Their Uses in Preparation of Antibiotics
  申请人：Luo Youfu

  公开号：US20140142144A1

  公开（公告）日：2014-05-22

  The invention belongs to the field of medicaments, and particularly relates to oxazolidinone compounds and their uses in the preparation of antibiotics. A technical problem to be solved by the invention is to provide new oxazolidinone compounds having the structure represented by Formula I. The oxazolidinone compounds of the invention, which are new compounds obtained through numerous screening, have significant antibacterial activity against bacteria such as drug-resistant staphylococcus aureus , fecal coliform bacteria, and streptococcus pneumoniae , while exhibiting low toxicity. The invention provides new options for the development and application of antibiotics.

  这项发明属于药物领域，特别涉及噁唑烷酮化合物及其在抗生素制备中的用途。该发明要解决的技术问题是提供具有由式I表示的结构的新噁唑烷酮化合物。该发明的噁唑烷酮化合物是通过大量筛选获得的新化合物，对耐药性金黄色葡萄球菌、粪大肠杆菌和肺炎链球菌等细菌具有显著的抗菌活性，同时毒性低。该发明为抗生素的开发和应用提供了新选择。
• [EN] TRIAZINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES DE TRIAZINE ET LEUR UTILISATION
  申请人：NOVO PHARMACEUTICALS LTD DE

  公开号：WO2004096808A1

  公开（公告）日：2004-11-11

  A compound of formula (I) wherein R1 is hydrogen, alkyl, -alkyl-aryl, -alkyl-heterocycloalkyl or -alkyl-0-heterocycloalkyl; R2 is hydrogen, hydroxy, amino, nitro, alkoxy, alkyl, aryl or heteroaryl; R3 is hydrogen, alkyl or aryl; R4 is hydrogen, alkyl, aryl, heteroaryl, -CH(aryl)2, -alkyl-aryl or -C(0)0-alkyl; and R5 is alkyl, hydroxy or amino; or a pharmaceutically acceptable salt thereof; is new for use in therapy, e.g. in the treatment of Alzheimer's disease.

  式（I）的化合物中，其中R1是氢，烷基，-烷基-芳基，-烷基-杂环烷基或-烷基-0-杂环烷基；R2是氢，羟基，氨基，硝基，烷氧基，烷基，芳基或杂芳基；R3是氢，烷基或芳基；R4是氢，烷基，芳基，杂芳基，-CH（芳基）2，-烷基-芳基或-C（0）0-烷基；R5是烷基，羟基或氨基；或其药用可接受盐；用于治疗，例如用于治疗阿尔茨海默病。
• [EN] CYANIN-TYPE COMPOUNDS HAVING AN ALKYNYL LINKER ARM<br/>[FR] COMPOSES DE TYPE CYANINE AVEC BRAS ALKYNYLE DE LIAISON
  申请人：CAPUTO GIUSEPPE

  公开号：WO2005014723A1

  公开（公告）日：2005-02-17

  The invention relates to cyanine-type fluorescent dyes modified with an alkynyl linker arm of formula (I), suitable for the conjugation of biomolecules, such as for example nucleosides, nucleotides, oligonucleotides, nucleic acids, proteins, peptides, vitamins and hormones. A method and intermediates for the synthsis of the alkynyl cyanines of the invention are also described, as well as alkynyl cyanine­biomolecule conjugates and methods for preparing thereof. The alkynyl cyanines of the invention can be advantageously used as markers for biomolecules or as quenchers.

  该发明涉及一种具有式(I)的炔基连接臂修饰的青霉素类荧光染料，适用于与生物分子结合，例如核苷，核苷酸，寡核苷酸，核酸，蛋白质，肽，维生素和激素等。该发明还描述了用于合成炔基青霉素的方法和中间体，以及炔基青霉素-生物分子共轭物和其制备方法。该发明的炔基青霉素可以优势地用作生物分子的标记物或猝灭剂。