1-甲基哌啶-3-酮 | 5519-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-甲基哌啶-3-酮
• 中文别名: 1-甲基-3-哌啶酮；N-甲基哌啶-3-酮
• 英文名称: 1-methyl-3-piperidone
• 英文别名: 1-methyl-piperidin-3-one；1-Methylpiperidon-3；1-methyl-3-piperidinone；1-Methylpiperidin-3-one
• CAS: 5519-50-6
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: SIKTVUHUQZNEPY-UHFFFAOYSA-N

物化性质

• 沸点：
  165℃
• 密度：
  0.992
• 闪点：
  49℃
• 溶解度：
  可溶于氯仿（少许）、二氯甲烷（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Methylpiperidin-3-one
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: 1-Methylpiperidin-3-one
CAS number: 5519-50-6

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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: C6H11NO
Molecular weight: 113.2

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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：

  1-甲基哌啶-3-酮 在 盐酸 、 氢氧化钾 、 乙醚 、 乙醇 、 水 作用下， 生成 4-(α-hydroxy-benzyl)-1-methyl-piperidin-3-one
  参考文献：
  名称：

  A consistent and verifiable macroscopic model for the dissolution of liquid CO2 in water under hydrate forming conditions

  摘要：

  Direct injection of liquid CO2 into the ocean has been proposed as one method to reduce the emission levels Of CO2 into the atmosphere. When liquid CO2 is injected (normally as droplets) at ocean depths > 500 in, a solid interfacial region between the CO2 and the water is observed to form. This region consists of hydrate clathrates and hinders the rate of dissolution Of CO2 . It is, therefore, expected to have a significant impact on the injection of liquid CO2 into the ocean. Up until now, no consistent and predictive model for the shrinking of droplets Of CO2 under hydrate forming conditions has been proposed. This is because all models proposed to date have had too many unknowns. By computing rates of the physical and chemical processes in hydrates. via molecular dynamics simulations, we have been able to determine independently some of these unknowns. We then propose the,most reasonable model and use it to make independent predictions of the rates of mass transfer and thickness of the hydrate region. These predictions are compared to measurements, and implications to the rates of shrinkage Of CO2 droplets under varying flow conditions are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0196-8904(01)00184-4
• 作为产物：
  描述：

  3-羟基-1-甲基哌啶 在 ^-Bu4N⁺ (MoO5PICO) 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以20%的产率得到1-甲基哌啶-3-酮
  参考文献：
  名称：

  Metal catalysis in oxidation by peroxides. Part 33. Chemoselective alcohol oxidations by the anionic molybdenum-picolinate N-oxido peroxo complex MoO5PICO

  摘要：

  DOI：

  10.1021/jo00298a052

文献信息

• SILICON PHTHALOCYANINE COMPLEX, PREPARATION METHOD AND MEDICINAL APPLICATION THEREOF
  申请人：Shenzhen China Resources Gosun Pharmaceutical Co., Ltd.

  公开号：US20170002028A1

  公开（公告）日：2017-01-05

  The present invention relates to a silicon phthalocyanine complex, the preparation method and the medicinal application thereof. The present invention particularly relates to a silicon phthalocyanine complex of formula (I), the preparation method thereof and a pharmaceutical composition comprising the same, as well as the use thereof as a photosensitizer, in particular the use in the treatment of cancers, wherein each substituent in formula (I) is the same as defined in the description.

  本发明涉及一种硅酞菁配合物，其制备方法及药用应用。本发明特别涉及一种符合式(I)的硅酞菁配合物，其制备方法以及包含其的药物组合物，以及其作为光敏剂的用途，特别是在治疗癌症中的应用，其中式(I)中的每个取代基与描述中定义的相同。
• [EN] GCN2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GCN2 ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2019148132A1

  公开（公告）日：2019-08-01

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] DERIVES DE QUINAZOLINE POUR LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2004094410A1

  公开（公告）日：2004-11-04

  Quinazoline derivatives of formula (I); for use in the treatment of proliferative diseases such as cancer and in the preparation of medicaments for use in the treatment of proliferative diseases, and to processes for their preparation, as well as pharmaceutical compositions containing them as active ingredient.

  公式（I）的喹唑啉衍生物；用于治疗癌症等增殖性疾病，并用于制备用于治疗增殖性疾病的药物，以及它们的制备方法，以及含有它们作为活性成分的药物组合物。
• Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same
  申请人：Zhuo Jincong

  公开号：US20070208001A1

  公开（公告）日：2007-09-06

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性相关的各种疾病。
• C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY
  申请人：Bristol-Myers Squibb Company

  公开号：US20130210787A1

  公开（公告）日：2013-08-15

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-3 cycloalkenyl triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II, III and IV: wherein X can be a C 4-8 cycloalkyl, C 4-8 cycloalkenyl, C 4-9 spirocycloalkyl, C 4-9 spirocycloalkenyl, C 4-8 oxacycloalkyl, C 4-8 dioxacycloalkyl, C 6-8 oxacycloalkenyl, C 6-8 dioxacycloalkenyl, C 6-9 oxaspirocycloalkyl, or C 6-9 oxaspirocycloalkenyl ring. These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物活性的化合物、其药物组合物及其用途被详细说明。特别是，提供了具有独特抗病毒活性的C-3环烯三萜类化合物，作为HIV成熟抑制剂，由公式I、II、III和IV所示的化合物代表： 其中X可以是C4-8环烷基，C4-8环烯基，C4-9螺环烷基，C4-9螺环烯基，C4-8氧杂环烷基，C4-8二氧杂环烷基，C6-8氧杂环烯基，C6-8二氧杂环烯基，C6-9氧杂螺环烷基或C6-9氧杂螺环烯基环。这些化合物用于治疗HIV和艾滋病。

表征谱图