2-(2-氟-4-硝基苯基)丙二酸二乙酯 | 318471-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-氟-4-硝基苯基)丙二酸二乙酯
• 英文名称: diethyl 2-(2-fluoro-4-nitrophenyl)malonate
• 英文别名: diethyl 2-(2-fluoro-4-nitrophenyl)propanedioate
• CAS: 318471-58-8
• 化学式: C₁₃H₁₄FNO₆
• 分子量: 299.256
• InChiKey: RZYIUPASHFMODF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2917399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
Synonyms: Diethyl 2-(2-fluoro-4-nitrophenyl)propanedioate

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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: Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
CAS number: 318471-58-8

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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: C13H14FNO6
Molecular weight: 299.3

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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, hydrogen fluoride.

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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-(2-氟-4-硝基苯基)丙二酸二乙酯 在 硫酸 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 14.0h， 生成 2-氟-4-硝基苯乙酸
  参考文献：
  名称：

  CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF

  摘要：

  这项发明涉及新的含有环丙基基团的噁唑烷酮类化合物，这些化合物对包括多耐药葡萄球菌、链球菌和肠球菌、拟杆菌属、梭菌属等好氧菌和厌氧菌，以及结核分枝杆菌和其他分枝杆菌属等抗酸菌有效。这些化合物由结构式I表示：1其对应的手性异构体、对映异构体或药用可接受的盐或酯。

  公开号：

  US20030225107A1
• 作为产物：
  描述：

  3,4-二氟硝基苯 、 sodium diethylmalonate 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-氟-4-硝基苯基)丙二酸二乙酯
  参考文献：
  名称：

  Bis(dealkoxycarbonylation) of Nitroarylmalonates: A Facile Entry to Alkylated Nitroaromatics

  摘要：

  详细介绍了一种通过双脱羧反应从取代硝基芳基丙二酸酯制备烷基化硝基芳烃的简便方法。

  DOI：

  10.1055/s-2000-8209

文献信息

• [EN] THIAZOLE AND OXAZOLE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE À BASE DE THIAZOLE ET D'OXAZOLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009076140A1

  公开（公告）日：2009-06-18

  The present invention provides thiazole and oxazole compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑和恶唑化合物、含有该化合物的组合物，以及它们的制备方法和作为药物的应用方法。
• [EN] QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLONE À UTILISER EN TANT QU'INHIBITEURS DE FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2014182829A1

  公开（公告）日：2014-11-13

  Compounds of formula (Ι') that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式（Ι'）的化合物是成纤维细胞生长因子抑制剂（FGFR），因此可用于治疗可以通过抑制FGFR治疗的疾病。还披露了包含此类化合物的药物组合物以及制备此类化合物的过程。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2013029338A1

  公开（公告）日：2013-03-07

  Disclosed are novel retinoid-related orphan receptor gamma (RORy) modulators and their use in the treatment of diseases mediated by RORy.

  揭示了一种新型的视黄醇相关孤儿受体γ（RORγ）调节剂，以及它们在治疗由RORγ介导的疾病中的用途。
• Thiazole And Oxazole Kinase Inhibitors
  申请人：Adjabeng George

  公开号：US20110098296A1

  公开（公告）日：2011-04-28

  The present invention provides thiazole and oxazole compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑和异噁唑化合物，包含它们的组合物，以及制备它们的方法和用作药物的方法。
• QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS
  申请人：Principia Biopharma, Inc.

  公开号：US20160130268A1

  公开（公告）日：2016-05-12

  Compounds that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公开了一种纤维母细胞生长因子抑制剂（FGFR）化合物，因此对于通过抑制FGFR可治疗的疾病具有用处。还公开了含有这种化合物的药物组合物和制备这种化合物的过程。