2-氟-4-羟基-5-甲氧基苯乙酮 | 1065076-49-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氟-4-羟基-5-甲氧基苯乙酮
• 中文别名: 1-(2-氟-4-羟基-5-甲氧基苯基)乙酮；2'-氟-4'-羟基-5'-甲氧基苯乙酮
• 英文名称: 1-(2-fluoro-4-hydroxy-5-methoxyphenyl)ethanone
• 英文别名: 1-(2-fluoro-4-hydroxy-5-methoxy-phenyl)ethanone
• CAS: 1065076-49-4
• 化学式: C₉H₉FO₃
• mdl: MFCD11101445
• 分子量: 184.167
• InChiKey: JTOSXEWSXIZJGX-UHFFFAOYSA-N

物化性质

• 沸点：
  326℃
• 密度：
  1.247
• 闪点：
  151℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2914700090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放在室温、干燥且密封的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2’-Fluoro-4’-hydroxy-5’-methoxyacetophenone
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: 2’-Fluoro-4’-hydroxy-5’-methoxyacetophenone
CAS number: 1065076-49-4

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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: C9H9FO3
Molecular weight: 184.2

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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, 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-氟-4-羟基-5-甲氧基苯乙酮 在 硫酸 、 三溴化硼 、 溶剂黄146 、 三氟乙酸 、 potassium hydroxide 、 锌 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 17.5h， 生成 4-(4-乙基-5-氟-2-羟基苯氧基)-3-氟苯甲酰胺
  参考文献：
  名称：

  [EN] NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND
  [FR] NOUVEAU COMPOSÉ HYDROXYPHÉNYLIQUE ANTIBACTÉRIEN

  摘要：

  该发明涉及一种新型羟基苯化合物，以及制备该化合物和其中使用的中间体，将该化合物用作抗菌药物以及含有该化合物的制药组合物。

  公开号：

  WO2011026529A1
• 作为产物：
  描述：

  5-氟-2-甲氧基苯酚 以90的产率得到2-氟-4-羟基-5-甲氧基苯乙酮
  参考文献：
  名称：

  Antibacterial hydroxyphenyl compound

  摘要：

  该发明涉及一种新型羟基苯化合物，以及制备该化合物和其中间体的方法，以及将该化合物用作抗菌药物和含有该化合物的药物组合物的用途。

  公开号：

  US09272985B2

文献信息

• NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND
  申请人：Gerusz Vincent

  公开号：US20120232155A1

  公开（公告）日：2012-09-13

  The invention relates to a novel hydroxyphenyl compound, to the preparation of the compound and intermediates used therein, to the use of the compound as an antibacterial medicament and pharmaceutical compositions containing the compound.

  本发明涉及一种新型的羟基苯化合物，其制备方法和中间体，以及将该化合物用作抗菌药物和含有该化合物的制药组合物。
• From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria
  作者：Vincent Gerusz、Alexis Denis、Fabien Faivre、Yannick Bonvin、Mayalen Oxoby、Sophia Briet、Géraldine LeFralliec、Chrystelle Oliveira、Nicolas Desroy、Cédric Raymond、Laëtitia Peltier、François Moreau、Sonia Escaich、Vanida Vongsouthi、Stéphanie Floquet、Elodie Drocourt、Armelle Walton、Laure Prouvensier、Marc Saccomani、Lionel Durant、Jean-Marie Genevard、Vanessa Sam-Sambo、Coralie Soulama-Mouze

  DOI：10.1021/jm301113w

  日期：2012.11.26

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.
• US9272985B2
  申请人：——

  公开号：US9272985B2

  公开（公告）日：2016-03-01
• [EN] NOVEL ANTIBACTERIAL HYDROXYPHENYL COMPOUND<br/>[FR] NOUVEAU COMPOSÉ HYDROXYPHÉNYLIQUE ANTIBACTÉRIEN
  申请人：FAB PHARMA SAS

  公开号：WO2011026529A1

  公开（公告）日：2011-03-10

  The invention relates to a novel hydroxyphenyl compound, to the preparation of the compound and intermediates used therein, to the use of the compound as an antibacterial medicament and pharmaceutical compositions containing the compound.

  该发明涉及一种新型羟基苯化合物，以及制备该化合物和其中使用的中间体，将该化合物用作抗菌药物以及含有该化合物的制药组合物。
• Antibacterial hydroxyphenyl compound
  申请人：Gerusz Vincent

  公开号：US09272985B2

  公开（公告）日：2016-03-01

  The invention relates to a novel hydroxyphenyl compound, to the preparation of the compound and intermediates used therein, to the use of the compound as an antibacterial medicament and pharmaceutical compositions containing the compound.

  该发明涉及一种新型羟基苯化合物，以及制备该化合物和其中间体的方法，以及将该化合物用作抗菌药物和含有该化合物的药物组合物的用途。