4-氟萘-1-醇 | 315-53-7

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-氟萘-1-醇
• 英文名称: 4-fluoronaphthalen-1-ol
• 英文别名: 4-fluoro-1-naphthol；4-fluoro-1-hydroxynaphthalene
• CAS: 315-53-7
• 化学式: C₁₀H₇FO
• mdl: MFCD10699695
• 分子量: 162.163
• InChiKey: QOJVIUUAFONRTL-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C
• 沸点：
  312.9±15.0 °C(Predicted)
• 密度：
  1.285±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)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2908199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Fluoronaphthalen-1-ol
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: 4-Fluoronaphthalen-1-ol
CAS number: 315-53-7

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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: C10H7FO
Molecular weight: 162.2

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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：

  4-氟萘-1-醇 在 异丁醇 、 甲烷磺酸(2-二环己基膦基-2',4',6'-三-异丙基-1,1'-联苯基)(2'-氨基-1,1'-联苯-2-基)钯(II) 、 sodium tert-pentoxide 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以42%的产率得到萘酚
  参考文献：
  名称：

  钯催化氟（杂）芳烃的加氢脱氟

  摘要：

  开发了钯催化的加氢脱氟以微调氟-（杂）芳族化合物的性能。可以在空气中建立鲁棒的反应，仅需要市售的组件，并且可以耐受与药物开发相关的各种杂环和功能。鉴于在代谢热点附近普遍存在氟掺入，相应的氘代氟化反应可证明可用于将氟化文库转化为氘代类似物，从而通过动力学同位素效应抑制氧化代谢。

  DOI：

  10.1021/acs.orglett.9b00889
• 作为产物：
  描述：

  1-Fluoro-4-acetoxynaphthalene 在 氢氧化钾 作用下， 以 甲醇 、 氢氧化钾 为溶剂， 反应 0.5h， 以90%的产率得到4-氟萘-1-醇
  参考文献：
  名称：

  R-氟萘氧基丙醇胺的合成和β-肾上腺素活性。

  摘要：

  用途许多芳族质子被氟取代的生物胺具有药理学特性，取决于氟在芳环上的位置。例如，6-氟肾上腺素对α-肾上腺素受体具有选择性，而2-氟异构体对β-受体具有选择性。芳氧基丙醇胺是β受体激动剂或拮抗剂，取决于芳基及其取代基。因此，我们假设原子环上的氟取代可能导致这一类的显着生物学效应。选择已知的β-拮抗剂的萘基上具有氟的靶进行研究。方法目标化合物的合成始于氟萘，并涉及通过Friedel-Crafts酰化和随后的Baeyer Villiger氧化引入4-羟基。使用手性合成子（2R）-3-硝基苯磺酸缩水甘油酯（一种Sharpless环氧化技术）立体选择性地引入侧链。用叔丁胺打开环氧化物。HPLC方法用于表征对映体的％ee。结果目标化合物的合成量为几百毫克，收率高，对映体过量高，显示了该合成方案的实用性。它对β-肾上腺素受体表现出有效的结合活性，并且发现它对β2-受体的选择性是对β1的两倍。结论本报告表

  DOI：

  10.1023/a:1012172121453

文献信息

• [EN] MACROCYCLIC INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLE MACROCYCLIQUES
  申请人：BROAD INST INC

  公开号：WO2019096911A1

  公开（公告）日：2019-05-23

  The present invention relates to macrocyclic indole derivatives of general formula (I), in which R1, R2, R3, R4, R5, R6, A and L are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）所示的大环吲哚衍生物，其中R1、R2、R3、R4、R5、R6、A和L如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖性疾病的唯一药物或与其他活性成分组合使用。
• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162072A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
• Power- and structure-variable fluorinating agents. The N-fluoropyridinium salt system
  作者：Teruo Umemoto、Shinji Fukami、Ginjiro Tomizawa、Kikuko Harasawa、Kosuke Kawada、Kyoichi Tomita

  DOI：10.1021/ja00179a047

  日期：1990.11

  N-Fluoropyridinium salts provide a new system of fluorinating agents by which a wide range of nucleophilic substrates differing in reactivity can be fluorinated due to the varying degree of fluorinating power and also fluorinated very selectively through structural alteration. The scope of selective fluorination should be broadened considerably on the basis of the present results. The N-fluoropyridinium

  N-氟吡啶鎓盐提供了一种新的氟化剂系统，通过该系统，由于氟化能力的不同程度，反应性不同的各种亲核底物可以被氟化，并且还可以通过结构改变非常有选择性地氟化。在现有结果的基础上，选择性氟化的范围应该大大拓宽。因此，N-氟吡啶鎓盐系统应该可以制备许多有用的有机氟化合物
• Synthesis of Difluorinated Dihydrobenzo[ <i>de</i> ]chromenes via Rh(III)‐Catalysed C‐H Couplings of 1‐Naphthols with <i>Gem</i> ‐Difluoromethylene Alkynes
  作者：Liping Li、Xiuhua Zhong、Jiali Xu、Hui Gao、Zhi Zhou、Wei Yi

  DOI：10.1002/adsc.202001475

  日期：2021.3.2

  difluorinated dihydrobenzo[de]chromenes with broad substrate/functional group compatibility and good regio‐/chemoselectivity and in an atom‐economic manner. The unique fluorine effects account for the unconventional reaction path involving intramolecular 1,3‐hydrogen migration process to afford the exo‐methylene fragment.

  已经实现了1-萘酚与宝石-二氟亚甲基炔烃的Rh（III）催化的CH偶联，可直接构建具有广泛的底物/官能团相容性和良好的区域/化学选择性的二氟化二氢苯并[ de ]苯二甲基苯。原子经济方式。独特的氟效应解释了涉及分子内1,3-氢迁移过程的非常规反应路径，从而提供了外亚甲基片段。
• [EN] ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLE MACROCYCLIQUES ANNELÉS ARYLE
  申请人：BAYER AG

  公开号：WO2019096907A1

  公开（公告）日：2019-05-23

  The present invention relates to aryl annulated macrocyclic indole derivatives of general formula (I): in which R1, R2, R3, R4, R5, R6, A and L are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）所示的芳基环化大环吲哚衍生物，其中R1、R2、R3、R4、R5、R6、A和L如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖性疾病的药物组合物，作为唯一药剂或与其他活性成分结合使用。