2-[4-(苄氧基)苯氧基]乙酸乙酯 | 142717-44-0

• 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-[4-(苄氧基)苯氧基]乙酸乙酯
• 英文名称: Ethyl 2-(4-benzyloxyphenoxy)ethanoate
• 英文别名: (4-benzyloxyphenoxy)acetic acid ethyl ester；ethyl 2-[4-(phenylmethoxy)phenoxy]acetate；ethyl 4-benzyloxyphenoxyacetate；Ethyl [4-(Benzyloxy)phenoxy]acetate；ethyl 2-(4-phenylmethoxyphenoxy)acetate
• CAS: 142717-44-0
• 化学式: C₁₇H₁₈O₄
• mdl: MFCD03847881
• 分子量: 286.328
• InChiKey: MYSLHCQKSBLMAR-UHFFFAOYSA-N

物化性质

• 沸点：
  410.6±25.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.235
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 2-[4-(benzyloxy)phenoxy]acetate
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: Ethyl 2-[4-(benzyloxy)phenoxy]acetate
CAS number: 142717-44-0

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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: C17H18O4
Molecular weight: 286.3

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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.

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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-(苄氧基)苯氧基]乙酸乙酯 在 4-二甲氨基吡啶 、 palladium on activated charcoal 氢氧化钾 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 乙二醇甲醚 、 乙酸乙酯 为溶剂， 反应 37.75h， 生成 4-Propylphenyl 2-(4-hydroxyphenoxy)ethanoate
  参考文献：
  名称：

  Booth, Christopher J.; Gray, George W.; Toyne, Kenneth J., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1992, vol. 210, p. 31 - 58

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苄氧基苯酚 、 氯乙酸乙酯 在 sodium hydride 作用下， 以 甲苯 为溶剂， 以2.62 g的产率得到2-[4-(苄氧基)苯氧基]乙酸乙酯
  参考文献：
  名称：

  Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors

  摘要：

  该公式的化合物可用于治疗由TNF-α介导的疾病状况，例如类风湿性关节炎、骨关节炎、脓毒症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和退化性软骨丧失。

  公开号：

  US06340691B1

文献信息

• Amidine compounds
  申请人：Japan Tobacco Inc.

  公开号：US06562828B1

  公开（公告）日：2003-05-13

  A compound of the formula [I] wherein R1, R2 and R3 are the same or different and each is hydrogen atom, wherein each symbol is as defined in the specification, a salt thereof or a prodrug thereof. The compound of the present invention, a salt thereof and a prodrug thereof are useful as factor Xa inhibitor and blood coagulation inhibitor, and are useful for the prophylaxis and/or treatment of diseases caused by blood coagulation or thrombus.

  其中R1、R2和R3相同或不同，且每个都是氢原子，其中每个符号如规范中定义，其盐或前药。本发明的化合物及其盐和前药可用作因子Xa抑制剂和抗凝血剂，对于预防和/或治疗由血液凝固或血栓引起的疾病有用。
• Carbazolyl-substituted ethanolamines as selective .beta.-.sub.3 agonists
  申请人：Eli Lilly and Company

  公开号：US06140352A1

  公开（公告）日：2000-10-31

  Disclosed herein are selective beta 3 adrenergic agonists represented by the following structural formula: ##STR1## The variables in the structural formula shown above are defined in the specification. Also disclosed are methods of using these compounds for agonizing the beta 3 adrenergic receptor in patients in need of such treatment, for example, patients in need of treatment for obesity or Type II diabetes.

  本文披露了由以下结构式表示的选择性β3肾上腺素能激动剂：##STR1## 上述结构式中的变量在说明书中有定义。还披露了使用这些化合物来激动β3肾上腺素能受体的方法，例如，需要此类治疗的患者，例如需要肥胖或2型糖尿病治疗的患者。
• Campestarenes: new building blocks with 5-fold symmetry
  作者：Seong Nam、David C. Ware、Penelope J. Brothers

  DOI：10.1039/c8ob00957k

  日期：——

  range of derivatives bearing peripheral functional groups suitable for generating supramolecular interactions has been designed and synthesised for potential applications in creating 2D quasicrystal molecular assemblies. The new campestarene derivatives bear ester, carboxylic acid, methoxy, bromo, 4-pyridyl, 4-cyanophenyl and 4-phenyl carboxylic acid groups, including further derivatives of the latter

  Campestarene是具有5倍对称性的平面形状持久大环化合物。已设计并合成了一系列带有外围官能团的衍生物，这些衍生物适合于产生超分子相互作用，可用于创建2D准晶体分子组装体的潜在应用。新的樟脑烯衍生物带有酯，羧酸，甲氧基，溴，4-吡啶基，4-氰基苯基和4-苯基羧酸基团，包括后两个在苯基上带有烷基链以改善溶解性的其他衍生物。通过使用Na 2 S 2 O 4对带有硝基和甲酰基的苯酚前体进行还原缩合来制备樟脑烯衍生物。。通过预环化衍生化或通过合成甲氧基取代的樟脑烯和随后的衍生化来安装目标官能团。环化反应可耐受引入的官能团。十个新的樟脑烯衍生物已通过NMR光谱和MALDI-TOF MS进行了表征，尽管某些实例的溶解性差，无法对其进行详细的表征。
• Aryloxyalkyl diketones
  申请人：Sterling Drug Inc.

  公开号：US04031246A1

  公开（公告）日：1977-06-21

  Aryloxyalkyl diketones and keto-esters, useful as pesticidal and anti-viral agents, are prepared from an aryloxyalkyl halide and an alkali metal enolate salt of a diketone or keto-ester, or from a haloalkyl-diketone and an alkali metal salt of a phenol.

  烷氧基烷基二酮和酮酯是一种有用的杀虫剂和抗病毒剂，可以从烷氧基烷基卤代物和二酮或酮酯的碱金属烯醇盐，或者从卤代烷基-二酮和酚的碱金属盐制备而成。
• Selective beta3 adrenergic agonists
  申请人：Rito J. Christopher

  公开号：US20050043337A1

  公开（公告）日：2005-02-24

  The present invention is in the field of medicine, particularly in the treatment of Type II diabetes and obesity. More specifically, the present invention relates to selective β 3 receptor agonists useful in the treatment of Type II diabetes and obesity. The invention provides compounds and methods of treating Type II diabetes and obesity, comprising administering to a mammal in need thereof compounds of formula (I).

  本发明涉及医学领域，特别是治疗II型糖尿病和肥胖症。更具体地，本发明涉及选择性β3受体激动剂，用于治疗II型糖尿病和肥胖症。本发明提供了化合物和治疗II型糖尿病和肥胖症的方法，包括向需要的哺乳动物施用式（I）的化合物。