2-(4-氟苯氧基)乙胺 | 6096-89-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-氟苯氧基)乙胺
• 中文别名: 2-(4-氟苯氧基)-1-乙胺
• 英文名称: 2-(4-fluorophenoxy)-1-ethylamine
• 英文别名: 2-(4-fluorophenoxy)ethanamine；2-(4-fluorophenoxy)ethylamine
• CAS: 6096-89-5
• 化学式: C₈H₁₀FNO
• mdl: MFCD00235183
• 分子量: 155.172
• InChiKey: HTMIRIIZZGJJBK-UHFFFAOYSA-N

物化性质

• 沸点：
  246.6±20.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2922299090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Fluorophenoxy)ethylamine
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-(4-Fluorophenoxy)ethylamine
CAS number: 6096-89-5

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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: C8H10FNO
Molecular weight: 155.2

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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, 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-(4-氟苯氧基)乙胺 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 5-[2-(4-fluorophenoxy)ethylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
  参考文献：
  名称：

  Novel phenoxyalkylamine derivatives. V. Synthesis, .ALPHA.-blocking activity and quantitative structure-activity analysis of .ALPHA.-((phenoxyethylamino)propyl)-.ALPHA.-phenylacetonitrile derivatives.

  摘要：

  合成了α-[(苯氧乙基氨基)丙基]-α-苯基乙腈衍生物，这些衍生物在苯乙腈部分的苯环（A环）上、在四面体碳原子上，以及在苯氧部分的苯环（B环）上，具有不同的取代基，并表现出各种程度的α-阻断活性。采用物理化学取代基参数及回归技术，对活性的变化进行了定性和定量分析。A环上取代基的影响根据其疏水参数的抛物线函数进行合理化。至于四面体碳原子上的取代基，烷基基团被认为是高活性的理想选择。B环上取代基的影响表明，存在一个最佳的疏水条件，并且在邻位的烷氧取代基以及在间位和对位的较小取代基有利于高活性。针对A环和B环取代基变化的综合系列类似物的分析显示，在分子的运输过程中，整个分子的最佳疏水性存在，此外也考虑了上述不同位置特异的结构效应。

  DOI：

  10.1248/cpb.36.4121
• 作为产物：
  描述：

  2-(4-氟苯氧基)乙酰胺 在 lithium aluminium tetrahydride 作用下， 生成 2-(4-氟苯氧基)乙胺
  参考文献：
  名称：

  螯合化合物的合成可用作潜在的寻骨剂。

  摘要：

  DOI：

  10.1021/jm00320a010

文献信息

• [EN] MUSCARINIC AGONISTS<br/>[FR] AGONISTES MUSCARINIQUES
  申请人：LILLY CO ELI

  公开号：WO2004094363A1

  公开（公告）日：2004-11-04

  The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.

  本发明涉及以下式（I）的化合物，它们是M-1肌胆碱受体的激动剂。
• Pyrazole Compound
  申请人：Tsukamoto Tetsuya

  公开号：US20090156582A1

  公开（公告）日：2009-06-18

  The present invention provides a pyrazole compound represented by the formula (I): wherein ring A 0 is a pyrazole ring optionally further having 1 or 2 substituents; R a is a substituted carbamoyl group; and R b is an optionally substituted acylamino group, or a salt thereof or a prodrug thereof, which is useful as an agent for the prophylaxis or treatment of GSK-3β related pathology or disease, and a GSK-3β inhibitor including same.

  本发明提供了一种由以下式（I）表示的吡唑化合物： 其中环A0是一个吡唑环，可选择地进一步具有1或2个取代基；Ra是一个取代的氨基甲酰基团；Rb是一个可选择地取代的酰胺基团，或其盐或前药，用作预防或治疗与GSK-3β相关的病理或疾病的药剂，以及包括其在内的GSK-3β抑制剂。
• Synthesis and biological evaluation of sphingosine kinase 2 inhibitors with anti-inflammatory activity
  作者：Marcela Vettorazzi、Laura Vila、Santiago Lima、Lina Acosta、Felipe Yépes、Alirio Palma、Justo Cobo、Jan Tengler、Ivan Malik、Sergio Alvarez、Patrice Marqués、Nuria Cabedo、María J. Sanz、Josef Jampilek、Sarah Spiegel、Ricardo D. Enriz

  DOI：10.1002/ardp.201800298

  日期：2019.3

  The synthesis of inhibitors of SphK2 with novel structural scaffolds is reported. These compounds were designed from a molecular modeling study, in which the molecular interactions stabilizing the different complexes were taken into account. Particularly interesting is that 7‐bromo‐2‐(2‐phenylethyl)‐2,3,4,5‐tetrahydro‐1,4‐epoxynaphtho[1,2‐b]azepine, which is a selective inhibitor of SphK2, does not

  报道了具有新型结构支架的 SphK2 抑制剂的合成。这些化合物是根据分子模型研究设计的，其中考虑了稳定不同复合物的分子相互作用。特别有趣的是 7-bromo-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine 是 SphK2 的选择性抑制剂，发挥任何细胞毒性作用并具有有效的抗炎作用。发现它抑制单核细胞粘附到功能失调的内皮，而对中性粒细胞 - 内皮细胞相互作用的影响最小。从我们的理论和实验研究中获得的信息可用于寻找在不同疾病中发挥重要作用的 SphK2 抑制剂，尤其是在炎症和心血管疾病中。
• Bicyclic cyclohexylamines and their use as nmda receptor antagonists
  申请人：——

  公开号：US20030236252A1

  公开（公告）日：2003-12-25

  Described are bicycle-substituted cyclohexylamines of Formula (I) and their pharmaceutically acceptable salts thereof. The compounds are antagonists of NMDA receptor channel complexes useful for treating cerebral vascular disorders such as, for example, cerebral ischemia, cardiac arrest, stroke, and Parkinson's specification. disease. The substituents are defined in the specification. 1

  描述了公式（I）的自行车替代环己胺及其药用盐。这些化合物是NMDA受体通道复合物的拮抗剂，可用于治疗脑血管疾病，例如脑缺血、心脏骤停、中风和帕金森病。这些取代基在规范中有定义。
• [EN] SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS<br/>[FR] BENZIMIDAZOLE CARBOXAMIDES SUBSTITUÉS ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES MÉDICAUX
  申请人：BIAL BIOTECH INVEST INC

  公开号：WO2021055591A1

  公开（公告）日：2021-03-25

  The invention provides substituted benzimidazole carboxamides and related compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat a medical disorder, e.g., cancer, lysosomal storage disorder, neurodegenerative disorder, inflammatory disorder, in a patient.

  这项发明提供了替代苯并咪唑羧酰胺及相关化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗患者的医疗疾病的方法，例如癌症、溶酶体贮积症、神经退行性疾病、炎症性疾病。