2-(3-甲氧基苯基)乙酰胺 | 18463-71-3

• 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-(3-甲氧基苯基)乙酰胺
• 英文名称: 3-methoxyphenylacetamide
• 英文别名: 2-(3-methoxyphenyl)acetamide；(m-Methoxy-phenyl)-acetamid
• CAS: 18463-71-3
• 化学式: C₉H₁₁NO₂
• mdl: MFCD00085105
• 分子量: 165.192
• InChiKey: HPKKEDGOBIXMHS-UHFFFAOYSA-N

物化性质

• 熔点：
  125-125.5 °C
• 沸点：
  354.2±25.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)
• 保留指数：
  1654

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S22,S24/25
• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(3-Methoxyphenyl)acetamide
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-(3-Methoxyphenyl)acetamide
CAS number: 18463-71-3

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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: C9H11NO2
Molecular weight: 165.2

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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.

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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-(3-甲氧基苯基)乙酰胺 在 aluminum oxide 、 碘苯二乙酸 、 palladium diacetate 、 碳酸氢钠 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 24.0h， 生成 5-甲氧基-3H-1-苯并呋喃-2-酮
  参考文献：
  名称：

  Pd(OAc)2 催化芳基乙酰胺的内酯化反应，涉及 C-H 键的氧化

  摘要：

  含有喹啉-8-基甲胺作为导向基团的芳基乙酰胺与PhI(OAc)2在Pd(OAc)2作为催化剂存在下发生内酯化反应得到γ-内酯...

  DOI：

  10.1246/cl.150041
• 作为产物：
  描述：

  3-甲氧基苯基乙酰氯 在 六甲基二硅氮烷 作用下， 以 二氯甲烷 为溶剂， 生成 2-(3-甲氧基苯基)乙酰胺
  参考文献：
  名称：

  Pd(OAc)2 催化芳基乙酰胺的内酯化反应，涉及 C-H 键的氧化

  摘要：

  含有喹啉-8-基甲胺作为导向基团的芳基乙酰胺与PhI(OAc)2在Pd(OAc)2作为催化剂存在下发生内酯化反应得到γ-内酯...

  DOI：

  10.1246/cl.150041

文献信息

• Development of [¹⁸F]Maleimide-Based Glycogen Synthase Kinase-3β Ligands for Positron Emission Tomography Imaging
  作者：Kongzhen Hu、Debasis Patnaik、Thomas Lee Collier、Katarzyna N. Lee、Han Gao、Matthew R. Swoyer、Benjamin H. Rotstein、Hema S. Krishnan、Steven H. Liang、Jin Wang、Zhiqiang Yan、Jacob M. Hooker、Neil Vasdev、Stephen J. Haggarty、Ming-Yu Ngai

  DOI：10.1021/acsmedchemlett.6b00405

  日期：2017.3.9

  radiotracers for positron emission tomography (PET) imaging is of paramount importance, because such a noninvasive imaging technique would allow better understanding of the link between the activity of GSK-3β and central nervous system disorders in living organisms, and it would enable early detection of the enzyme's aberrant activity. Herein, we report the synthesis and biological evaluation of a series

  糖原合酶激酶3β（GSK-3β）的失调与神经退行性和精神病性疾病的发病机制有关。因此，开发用于正电子发射断层摄影（PET）成像的GSK-3β放射性示踪剂至关重要，因为这种无创成像技术可以更好地了解GSK-3β活性与活生物体中枢神经系统疾病之间的联系，从而可以及早发现该酶的异常活性。在此，我们报告了一系列高亲和力GSK-3β抑制剂氟取代的马来酰亚胺衍生物的合成和生物学评估。实现了潜在的GSK-3β示踪剂[18F] 10a的放射性合成。在啮齿动物中进行的体内PET初步成像研究显示，大脑摄取中等，尽管在大脑中未观察到饱和结合。有必要进一步完善铅支架，以开发用于中枢神经系统PET成像的[18F]标记的GSK-3放射性示踪剂。
• [EN] [18F]MALEIMIDE-BASED GLYCOGEN SYNTHASE KINASE-3BETA LIGANDS FOR POSITRON EMISSION TOMOGRAPHY IMAGING AND RADIOSYNTHESIS METHOD<br/>[FR] LIGANDS DE GLYCOGÈNE SYNTHASE KINASE-3β À BASE DE [18F]MALÉIMIDE POUR IMAGERIE PAR TOMOGRAPHIE PAR ÉMISSION DE POSITRONS ET PROCÉDÉ DE RADIOSYNTHÈSE
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2018132636A1

  公开（公告）日：2018-07-19

  The present invention provides a compound having the structure: (Formula I), and a method of inhibiting Glycogen synthase kinase-3 β (GSK-3β) in a subject comprising administering to the subject said compound, so as to thereby inhibit the GSK-3β in the subject.

  本发明提供了一种具有结构的化合物：（式I），以及一种抑制糖原合成酶激酶-3β（GSK-3β）的方法，包括向受试者施用所述化合物，从而抑制受试者中的GSK-3β。
• [EN] ANTIBACTERIAL BENZOIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDES BENZOIQUES ANTIBACTERIENS
  申请人：UPJOHN CO

  公开号：WO2004018428A1

  公开（公告）日：2004-03-04

  The invention provides antimicrobial agents and methods of using the agents for sterilization, sanitation, antisepsis, disinfection, and treatment of infections in mammals.

  这项发明提供了抗菌剂和使用这些剂进行哺乳动物的消毒、卫生、防腐、消毒和治疗感染的方法。
• Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer
  申请人：——

  公开号：US20030229120A1

  公开（公告）日：2003-12-11

  Novel ligands for the HisB10 Zn 2+ sites of the R-state insulin hexamer that are capable of prolonging the action of insulin preparations are disclosed.

  揭示了能够延长胰岛素制剂作用的R-态胰岛素六聚体的HisB10 Zn2+位点的新配体。
• [EN] PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN<br/>[FR] PREPARATIONS PHARMACEUTIQUES CONTENANT DE L'INSULINE
  申请人：NOVO NORDISK AS

  公开号：WO2006005683A1

  公开（公告）日：2006-01-19

  Novel preparations comprising ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer wherein the ligand is extended by protamine that are capable of prolonging the ac­tion of insulin preparations.

  新型制剂包括配体，用于R-态胰岛素六聚体的HisB10 Zn2+位点，其中配体通过精氨酸延长，能够延长胰岛素制剂的作用。