5-乙酰基-2,4-二甲基-1H-吡咯-3-羧酸乙酯 | 6314-22-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-乙酰基-2,4-二甲基-1H-吡咯-3-羧酸乙酯
• 中文别名: 3-吡咯羧酸,5-乙酰基-2,4-二甲基-,乙酯
• 英文名称: 5-acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: 3,5-Dimethyl-2-acetyl-4-ethoxycarbonyl-pyrrol；ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
• CAS: 6314-22-3
• 化学式: C₁₁H₁₅NO₃
• mdl: MFCD00227068
• 分子量: 209.245
• InChiKey: ZCNAULQFSXEJTD-UHFFFAOYSA-N

物化性质

• 熔点：
  142 °C(Solv: ethanol (64-17-5))
• 沸点：
  379.6±42.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
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: Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CAS number: 6314-22-3

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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: C11H15NO3
Molecular weight: 209.2

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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-乙酰基-2,4-二甲基-1H-吡咯-3-羧酸乙酯 在 氢氧化钾 作用下， 生成 5-乙酰基-2,4-二甲基-1H-吡咯-3-羧酸
  参考文献：
  名称：

  Magnanini, Chemische Berichte, vol. 231, p. 2866

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙酸酐 作用下， 生成 5-乙酰基-2,4-二甲基-1H-吡咯-3-羧酸乙酯
  参考文献：
  名称：

  Magnanini, Chemische Berichte, vol. 231, p. 2865

  摘要：

  DOI：

文献信息

• Inhibitors of cyclin dependent kinases as anti-cancer agent
  申请人：——

  公开号：US20040132746A1

  公开（公告）日：2004-07-08

  The present invention relates to 2-substituted 4-heteroaryl-pyrimidines, their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent kinases (CDKs) and hence their use in the treatment of proliferative disorders such as cancer, leukaemia, psoriasis and the like.

  本发明涉及2-取代的4-杂环芳基嘧啶、它们的制备、含有它们的药物组合物以及它们作为细胞周期依赖性激酶（CDKs）抑制剂的用途，因此可用于治疗增殖性疾病，如癌症、白血病、牛皮癣等。
• DE395092
  申请人：——

  公开号：——

  公开（公告）日：——
• Fischer; Zerweck, Chemische Berichte, 1922, vol. 55, p. 1949
  作者：Fischer、Zerweck

  DOI：——

  日期：——
• Fischer; Schneller; Zerweck, Chemische Berichte, 1922, vol. 55, p. 2395
  作者：Fischer、Schneller、Zerweck

  DOI：——

  日期：——
• What Happens to the State in Conflict?: Political Analysis as a Tool for Planning Humanitarian Assistance
  作者：Lionel Cliffe、Robin Luckham

  DOI：10.1111/1467-7717.00150

  日期：2000.12

  It is now part of received wisdom that humanitarian assistance in conflict and post‐conflict situations may be ineffective or even counterproductive in the absence of an informed understanding of the broader political context in which so‐called ‘complex political emergencies’ (CPEs) occur. Though recognising that specific cases have to be understood in their own terms, this article offers a framework for incorporating political analysis in policy design. It is based on a programme of research on a number of countries in Africa and Asia over the last four years. It argues that the starting‐point should be an analysis of crises of authority within contemporary nation‐states which convert conflict (a feature of all political systems) into violent conflict; of how such conflict may in turn generate more problems for, or even destroy, the state; of the deep‐rooted political, institutional and developmental legacies of political violence; and of the difficulties that complicate the restoration of legitimate and effective systems of governance after the ‘termination’ of conflict. It then lists a series of questions which such an analysis would need to ask — less in order to provide a comprehensive check‐list than to uncover underlying political processes and links. It is hoped these may be used not only to understand the political dynamics of emergencies, but also to identify what kinds of policy action should and should not be given priority by practitioners.