6-氨基-2,3-二氟苯酚 | 115551-33-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯酚系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 6-氨基-2,3-二氟苯酚
• 英文名称: 6-amino-2,3-difluorophenol
• 英文别名: 2-amino-5,6-difluorophenol；2-hydroxy 3,4-difluoro aniline
• CAS: 115551-33-2
• 化学式: C₆H₅F₂NO
• 分子量: 145.109
• InChiKey: KRURHZHJEDNBCM-UHFFFAOYSA-N

物化性质

• 沸点：
  229.4±40.0 °C(Predicted)
• 密度：
  1.472±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P301+P312,P302+P352,P304+P340,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  应存放在2-8℃的环境中，避免光照，并在惰性气体氛围下保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,4-Difluoro-2-hydroxyaniline
Synonyms: 6-Amino-2,3-difluorophenol

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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: 3,4-Difluoro-2-hydroxyaniline
CAS number: 115551-33-2

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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: C6H5F2NO
Molecular weight: 145.1

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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

反应信息

• 作为反应物：
  描述：

  6-氨基-2,3-二氟苯酚 在 硫酸 、 lithium perchlorate 、 乙酸酐 、 sodium hydride 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 乙醇 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 41.75h， 生成 氧氟沙星
  参考文献：
  名称：

  Adrio, Javier; Carretero, Juan C.; Garcia Ruano, Jose L., Heterocycles, 1999, vol. 51, # 7, p. 1563 - 1572

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二氟-6-硝基苯酚 在 palladium on carbon 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 7.0h， 以95%的产率得到6-氨基-2,3-二氟苯酚
  参考文献：
  名称：

  氟喹啉恶嗪衍生物作为细菌拓扑异构酶IA抑制剂的合成，评估和CoMFA研究

  摘要：

  迫切需要具有新颖靶标和作用机理的新型抗菌剂，以解决有问题的细菌感染和增加抗生素耐药性。拓扑异构酶IA代表了一个有吸引力的且尚未开发的抗菌靶标，因此，人们越来越有兴趣开发用于抗菌治疗的选择性和有效的拓扑异构酶I抑制剂。根据我们的初步生物学筛选，发现氟喹啉吩恶嗪1是一种针对大肠杆菌的低微摩尔抑制剂。拓扑异构酶IA。在文献中，已经研究了氟喹啉吩恶嗪类似物作为抗菌剂和抗癌剂，但是，它们对拓扑异构酶I的抑制作用尚未得到充分开发，并且几乎没有可用的结构活性关系（SAR）。良好的1对拓扑异构酶I抑制活性和SAR的缺乏促使我们设计和合成了一系列氟喹吩恶嗪类似物，以系统地评估SAR，并探查了氟喹吩恶嗪核心对拓扑异构酶I酶靶识别的结构元素。在这项研究中，设计，合成和评估了一系列氟喹啉吩恶嗪类似物，作为拓扑异构酶I抑制剂和抗菌剂。基于靶标的测定表明，氟喹啉恶嗪衍生物具有9-NH2和/或6-取代的胺官能团通常表现

  DOI：

  10.1016/j.ejmech.2016.09.053

文献信息

• PYRIDINE AND PYRAZINE DERIVATIVES - 083
  申请人：Barlaam Bernard Christophe

  公开号：US20090118305A1

  公开（公告）日：2009-05-07

  The invention concerns pyridine and pyrazine derivatives of Formula I or a pharmaceutically-acceptable salt thereof, wherein each of W, G 1 , G 2 , G 3 , G 4 , J, Ring A, n and R 3 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  本发明涉及式I的吡啶和吡嗪衍生物 或其药用可接受的盐，其中W、G 1 、G 2 、G 3 、G 4 、J、环A、n和R 3 各自具有如前文描述中定义的任何含义；它们的制备过程，包含它们的药物组合物以及它们在制造用于治疗细胞增殖性障碍的药物中的应用。
• Monocyclic heterocycles as kinase inhibitors
  申请人：Borzilleri M. Robert

  公开号：US20050245530A1

  公开（公告）日：2005-11-03

  The present invention is directed to compounds having the formula and methods for using them for the treatment of cancer.

  本发明涉及具有以下公式化合物的用途以及使用它们治疗癌症的方法。
• Benzimidazolidinone derivatives as muscarinic agents
  申请人：Kelly Nicholas Michael

  公开号：US06951849B2

  公开（公告）日：2005-10-04

  Benzimidazolidinone derivative compounds, which increase acetylcholine signaling or effect in the brain, and highly selective muscarinic agonists, particularly for the M 1 and/or M 4 receptor subtypes, pharmaceutical compositions comprising the same, as well as methods of treating psychosis using these compounds are disclosed.

  苯并咪唑啉酮衍生物化合物，可以增加大脑中乙酰胆碱的信号传导或作用，并且对M1和/或M4受体亚型具有高选择性的肌肽激动剂，以及包含这些化合物的药物组合物，以及使用这些化合物治疗精神病的方法被披露。
• IL-8 receptor antagonists
  申请人：SmithKline Beecham Corporation

  公开号：US05886044A1

  公开（公告）日：1999-03-23

  This invention relates to the novel use of phenyl ureas in the treatment of disease states mediated by the chemokine, Interleukin-8 (IL-8).

  这项发明涉及苯基脲化合物在治疗由趋化因子白细胞介素-8（IL-8）介导的疾病状态中的新用途。
• Process to obtain benzoxazines to be used for the synthesis of
  申请人：Derivados del Etilo, S.A.

  公开号：US05521310A1

  公开（公告）日：1996-05-28

  A process to obtain benzoxazines useful for the synthesis of Ofloxazine, Levofloxazine and derivatives. The benzoxacines (I) where Xb is an halogen and R.sub.1 is H, alkyl or alkenyl of up to 6 atoms of C or aryl, can be obtained by means of cycling a compound of formula (II) through the reaction with triphenylphosphine and ethyl azodicarboxilate. The compounds of formula (II) can be obtained through the reaction of a compound (III) with an adequate epoxide. Through the use of the adequate chiral epoxide it is possible to obtain the enantiomerically desired intermediate and, therefore and selectively, it is possible to obtain the desired final product with the adequate enantiomeric form without the need to carry out a resolution stage. The Compounds (I) are useful and key intermediates for the synthesis of the antimicrobials Oflixazine and Levofloxazine. ##STR1##

  一种用于合成Ofloxazine、Levofloxazine和衍生物的苯并噁嗪的方法。苯并噁嗪(I)中Xb为卤素，R.sub.1为H、烷基或最多6个碳原子的烯基或芳基，可通过将式(II)的化合物与三苯基膦和乙基叠氮二羧酸乙酯反应而获得。式(II)的化合物可通过将化合物(III)与适当的环氧化物反应而获得。通过使用适当的手性环氧化物，可以获得所需的对映异构体中间体，因此可以选择性地获得所需的最终产物，而无需进行分离阶段。化合物(I)是合成抗菌药Oflixazine和Levofloxazine的有用且关键的中间体。