2-氟-5-硝基苯甲醚 | 454-16-0

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯甲醚系列
• 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-氟-5-硝基苯甲醚
• 中文别名: 1-氟-2-甲氧基-4-硝基苯；4-氟-3-甲氧基硝基苯2-甲氧基-4-硝基氟苯；3-甲氧基-4-氟硝基苯；4-氟-3-甲氧基硝基苯甲醚；4-氟-3-甲氧基硝基苯
• 英文名称: 1-fluoro-2-methoxy-4-nitrobenzene
• 英文别名: 2-fluoro-5-nitroanisole；3-methoxy-4-fluoronitrobenzene；4-fluoro-3-methoxynitrobenzene
• CAS: 454-16-0
• 化学式: C₇H₆FNO₃
• mdl: MFCD07782081
• 分子量: 171.128
• InChiKey: AZNKKZHZGDZSIF-UHFFFAOYSA-N

物化性质

• 熔点：
  69-71 °C
• 沸点：
  270.3±20.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Fluoro-5-nitroanisole
Synonyms: 1-Fluoro-2-methoxy-4-nitrobenzene

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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: 2-Fluoro-5-nitroanisole
CAS number: 454-16-0

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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: C7H6FNO3
Molecular weight: 171.1

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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, 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

制备方法与用途

应用广泛，2-氟-5-硝基苯甲醚可用作有机合成中间体和医药中间体，主要应用于实验室研发及化工生产过程。

反应信息

• 作为反应物：
  描述：

  2-氟-5-硝基苯甲醚 在 tris-(dibenzylideneacetone)dipalladium(0) 、 platinum on carbon 、 palladium 10% on activated carbon 、 2-二环己基磷-2,4,6-三异丙基联苯 噻吩 、 盐酸 、 硫酸 、 氢气 、 potassium carbonate 、 caesium carbonate 、 sodium nitrite 作用下， 以 甲醇 、 溶剂黄146 、 二甲基亚砜 、 异丙醇 、 叔丁醇 为溶剂， 反应 40.5h， 生成 5,6,7,8-tetrahydro-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
  参考文献：
  名称：

  [EN] NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS
  [FR] NOUVEAUX DÉRIVÉS DE TRIAZOLE BICYCLIQUES SUBSTITUÉS COMME MODULATEURS DE GAMMA SECRÉTASE

  摘要：

  本发明涉及一种新型的取代的Formula (I)中的双环三唑衍生物，其中Het1、R1、R2、A1、A2、A3、A4、L1和L2的含义如权利要求中所定义。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新型化合物的方法，包括将所述化合物作为活性成分的药物组合物以及将所述化合物用作药物的用途。

  公开号：

  WO2011086098A1
• 作为产物：
  描述：

  2-methoxy-4-nitrobenzenediazonium;fluoride 以64%的产率得到
  参考文献：
  名称：

  YONEDA, NORIHIKO;FUKUHARA, TSUYOSHI;KIKUCHI, TETSUO;SUZUKI, AKIRA, SYNTH. COMMUN., 19,(1989) N-6, C. 865-871

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-氟-5-硝基苯酚 、 potassium carbonate 、 methyl sulfate 在 2-氟-5-硝基苯甲醚 、 正己烷 作用下， 反应 0.08h， 生成 2-氟-5-硝基苯甲醚
  参考文献：
  名称：

  Phenyl benzoic acid compounds

  摘要：

  本发明涉及取代的5-(苯基)苯甲酸酯及其无毒药学可接受盐和其制备方法。这些取代的5-(苯基)苯甲酸可用作抗炎化合物。本发明还包括通过向患者投与这些特定化合物来治疗炎症的方法声明。

  公开号：

  US04044049A1

文献信息

• 一种腙类化合物及其中间体，及其制备方法、药物组合物和应用
  申请人：中国科学院上海有机化学研究所

  公开号：CN110092784A

  公开（公告）日：2019-08-06

  本发明公开了一种腙类衍生物(I)、其中间体、制备方法、药物组合物和应用。本发明的腙类化合物对cIAP1蛋白的泛素化活性具有很好的抑制作用，并在细胞水平促进致癌蛋白c‑MYC的降解，抑制肿瘤细胞的生长，具有广阔的药物开发前景。
• [EN] ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS D'ISOQUINOLINONE UTILES DANS LE TRAITEMENT DU CANCER
  申请人：PF MEDICAMENT

  公开号：WO2016034642A1

  公开（公告）日：2016-03-10

  The present invention relates to a compound of the following formula (I) or a pharmaceutically acceptable salt and/or solvate thereof, notably for use as a drug, notably in the treatment of cancer, as well as pharmaceutical compositions containing such a compound and processes to prepare such a compound.

  本发明涉及以下式（I）的化合物或其药学上可接受的盐和/或溶剂化合物，特别用作药物，特别用于治疗癌症，以及含有这种化合物的药物组合物和制备这种化合物的方法。
• [EN] COMPOUNDS USEFUL AS CSF1 MODULATORS<br/>[FR] COMPOSÉS UTILES EN TANT QUE MODULATEURS DU FACTEUR 1 DE STIMULATION DE COLONIES
  申请人：REDX PHARMA PLC

  公开号：WO2016051193A1

  公开（公告）日：2016-04-07

  This invention relates to novel compounds and to pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as Colony Stimulating Factor 1 Receptor (cFMS) modulators (e.g. cFMS inhibitors). This invention also relates to processes for preparing the compounds, uses of the compounds in treatment and methods of treatment employing the compounds. Specifically, the invention relates to the use of the compounds for the treatment of cancer and autoimmune diseases.

  这项发明涉及新颖化合物以及包含这些新颖化合物的药物组合物。更具体地，该发明涉及用作集落刺激因子1受体（cFMS）调节剂（例如cFMS抑制剂）的化合物。这项发明还涉及制备这些化合物的方法，这些化合物在治疗中的用途以及利用这些化合物进行治疗的方法。具体而言，该发明涉及利用这些化合物治疗癌症和自身免疫性疾病。
• COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF
  申请人：XW LABORATORIES INC.

  公开号：US20200102289A1

  公开（公告）日：2020-04-02

  The present invention relates compounds of Formula (A) as H3R antagonists, as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses as modulators of Histamine 3 Receptor (H3R) functions. The present invention also relates to the uses of the compounds or pharmaceutical compositions in treating or preventing certain disorders and diseases which relate to H3R functions in humans.

  本发明涉及作为H3R拮抗剂的化合物(A)的公式，以及它们的制备和用途，并进一步涉及包含这些化合物的药物组合物及其用途作为组胺3受体（H3R）功能调节剂。本发明还涉及这些化合物或药物组合物在治疗或预防与人类H3R功能相关的某些疾病和疾病中的用途。
• One-Pot Synthesis of Novel Antiproliferative 9-Aminoacridines
  作者：Gary Gellerman、Sagiv Waintraub、Amnon Albeck、Vladimir Gaisin

  DOI：10.1002/ejoc.201100133

  日期：2011.8

  Highly efficient one-pot syntheses of antiproliferative 9-aminoacridine (9-AA) derivatives are described. Simple SNAr and addition/elimination reactions, using readily accessible starting materials, give a fast entry to novel 9-(pyridylamino)acridines, 9-(pyrimidinylamino)acridines and potential “dual-function” bioreductive 9-(acridinylamino)quinone intercalators. The synthetic routes reported in this

  描述了抗增殖 9-氨基吖啶 (9-AA) 衍生物的高效一锅合成。简单的 SNAr 和加成/消除反应，使用容易获得的起始材料，快速进入新型 9-（吡啶氨基）吖啶、9-（嘧啶氨基）吖啶和潜在的“双功能”生物还原性 9-（吖啶氨基）醌嵌入剂。这项工作中报道的合成路线是通用且易于应用的，显着扩大了潜在 9-AA 抗癌候选物的范围和范围。