5-甲基-3-吗啉酮 | 65922-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 5-甲基-3-吗啉酮
• 英文名称: 5-methylmorpholin-3-one
• CAS: 65922-85-2
• 化学式: C₅H₉NO₂
• mdl: MFCD07781030
• 分子量: 115.132
• InChiKey: WWPWUBHXXRVWJK-UHFFFAOYSA-N

物化性质

• 熔点：
  32-34 °C(Solv: pentane (109-66-0))
• 沸点：
  290.9±33.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Methylmorpholin-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: 5-Methylmorpholin-3-one
CAS number: 65922-85-2

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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: C5H9NO2
Molecular weight: 115.1

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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：

  5-甲基-3-吗啉酮 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以78%的产率得到3-甲基吗啉
  参考文献：
  名称：

  高效合成取代的吗啉

  摘要：

  摘要 已经开发了一种简单有效的方法，用于通过容易获得的氨基醇和α-卤代酰氯的一系列偶联，环化和还原反应来合成取代的吗啉。通过单一方法在相似的反应条件下以良好的产率合成了各种单，二和三取代的吗啉，螺型吗啉和环稠合的吗啉，以及吗啉同系物。该方法还用于（3 S）-3-甲基吗啉的多谱合成。 已经开发了一种简单有效的方法，用于通过容易获得的氨基醇和α-卤代酰氯的一系列偶联，环化和还原反应来合成取代的吗啉。通过单一方法在相似的反应条件下以良好的产率合成了各种单，二和三取代的吗啉，螺型吗啉和环稠合的吗啉，以及吗啉同系物。该方法还用于（3 S）-3-甲基吗啉的多谱合成。

  DOI：

  10.1055/s-0034-1379641
• 作为产物：
  描述：

  DL-氨基丙醇 以 乙酸乙酯 、 苯 为溶剂， 生成 5-甲基-3-吗啉酮
  参考文献：
  名称：

  Azacycloalkane derivatives, absorption promoters containing the

  摘要：

  一种对促进药物吸收有用的氮杂环烷衍生物，包含至少一种氮杂环烷衍生物作为促进吸收的有效成分的吸收促进剂，以及含有该吸收促进剂的外用制剂，该衍生物由以下公式表示##STR1##其中A为--CH.sub.2--或--S--，例如，B为硫或氧，R为--SR"，其中R"为烷基或烷基硫烷基，例如，或--OR"，其中R"如上定义，为烷基或取代氨基，R'为氢原子，烷基或烷氧基，例如，m为0-5的整数，n为1-15的整数。

  公开号：

  US04882359A1

文献信息

• [EN] ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES<br/>[FR] COMPOSÉS PYRIDYLE SUBSTITUÉS PAR ALKYL-AMIDE, UTILES COMME MODULATEURS D'IL-12, IL-23 ET/OU DE RÉPONSES À L'IFN&Agr;
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014074660A1

  公开（公告）日：2014-05-15

  Compounds having the following formula (I): or a stereoisomer or pharmaceutically-acceptable salt thereof, where R1, R2, R3, R4, and R5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.

  具有以下化学式（I）的化合物，或其立体异构体或药用可接受盐，其中R1、R2、R3、R4和R5如本文所定义，在通过作用于Tyk-2引起信号转导抑制的过程中，对IL-12、IL-23和/或IFNα的调节是有用的。
• [EN] NEW COMPOUNDS AND METHODS<br/>[FR] NOUVEAUX COMPOSÉS ET PROCÉDÉS
  申请人：BENEVOLENTAI BIO LTD

  公开号：WO2020260871A1

  公开（公告）日：2020-12-30

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt, solvate, hydrate, tautomer, optical isomer, N-oxide, and/or prodrug thereof. The present invention also relates to pharmaceutical compositions comprising the compounds of the invention, and to their use in the treatment or prevention of medical conditions in which inhibition of c-ABL is beneficial. (I)

  本发明涉及式(I)的化合物或其药用可接受的盐、溶剂化合物、水合物、互变异构体、光学异构体、N-氧化物和/或前药。本发明还涉及包括本发明化合物的药物组合物，以及它们在治疗或预防抑制c-ABL有益的医疗状况中的使用。
• PRMT5抑制剂
  申请人：[en]BEIJING EARTHWISE TECHNOLOGY CO., LTD.;[zh]北京望实智慧科技有限公司

  公开号：WO2024037608A1

  公开（公告）日：2024-02-22

  本发明提供了一类式(I)所示的PRMT5抑制剂，或其药学上可接受的盐、同位素变体、互变异构体、立体异构体、前药、多晶型、水合物或溶剂合物。本发明还提供了所述化合物的制备方法、包含所述化合物的药物组合物，以及所述化合物在预防和治疗癌症中的作用。
• Arya,V.P. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1977, vol. 15, p. 720 - 726
  作者：Arya,V.P. et al.

  DOI：——

  日期：——
• BOSIES, ELMAR
  作者：BOSIES, ELMAR

  DOI：——

  日期：——