4-羟基-2-吡咯烷酮 | 25747-41-5

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 4-羟基-2-吡咯烷酮
• 中文别名: 三(三溴苯基)三嗪；溴代三嗪；阻燃剂TBPC
• 英文名称: 4-hydroxy-2-oxopyrrolidine
• 英文别名: 4-hydroxy-2-pyrrolidone；4-hydroxy-2-pyrrolidinone；4-hydroxypyrrolidin-2-one；4-Hydroxy-pyrrolidin-2-on
• CAS: 25747-41-5
• 化学式: C₄H₇NO₂
• mdl: MFCD01687254
• 分子量: 101.105
• InChiKey: IOGISYQVOGVIEU-UHFFFAOYSA-N

物化性质

• 熔点：
  120-122°C
• 沸点：
  130-150 °C(Press: 0.05-0.1 Torr)
• 密度：
  1.292±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933790090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Hydroxy-2-pyrrolidone
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: 4-Hydroxy-2-pyrrolidone
CAS number: 25747-41-5

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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: C4H7NO2
Molecular weight: 101.1

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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：

  4-羟基-2-吡咯烷酮 生成 3-羟基吡咯烷
  参考文献：
  名称：

  IRIUTIDZIMA, SINOBU;MASUDA, TAKAXITO

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-3-羟基丁酸甲酯 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-羟基-2-吡咯烷酮
  参考文献：
  名称：

  Process for preparing 4-hydroxy-2-pyrrolidone

  摘要：

  一种改进的制备4-羟基-2-吡咯酮的方法，其特征在于将4-卤代-3-羟基丁酸酯与碱金属或碱土金属叠氮化物反应，生成4-叠氮基-3-羟基丁酸酯，然后对酯化合物的叠氮基进行氢化，最后环化氢化合物。4-羟基-2-吡咯酮对于药物和农药的中间体具有用处。

  公开号：

  US05869694A1

文献信息

• [EN] COMPOUND, COMPOSITIONS, AND METHODS<br/>[FR] COMPOSÉS, COMPOSITIONS, ET PROCÉDÉS
  申请人：DENALI THERAPEUTICS INC

  公开号：WO2017087905A1

  公开（公告）日：2017-05-26

  Compounds having activity as LRRK2 inhibitors are disclosed. The compounds are of formula (I) including stereoisomers, tautomers, pharmaceutically acceptable salts and prodrugs thereof. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  披露了具有LRRK2抑制剂活性的化合物。这些化合物具有公式(I)，包括立体异构体、互变异构体、药物可接受的盐和前药。还披露了与这些化合物的制备和使用相关的方法，以及包含这些化合物的药物组合物。
• Structure elucidation of pantherine, a flycidal alkaloid from Amanita pantherina (DC.) Fr.
  作者：YAEKO KONDA、HIROSHI TAKAHASHI、MASAYUKI ONDA

  DOI：10.1248/cpb.33.1083

  日期：——

  Pantherine is identified as 5-aminomethyl-3-hydroxyisoxazole by means of spectroscopic experiments and chemical correlation with synthetic compounds.

  通过光谱实验及与合成化合物的化学关联，鉴定出Pantherine为5-氨基甲基-3-羟基异恶唑。
• HPK1 ANTAGONISTS AND USES THEREOF
  申请人：Nimbus Saturn, Inc.

  公开号：US20210078996A1

  公开（公告）日：2021-03-18

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of HPK1, and the treatment of HPK1-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制HPK1和治疗HPK1介导的疾病的方法。
• Facile synthesis of γ-, α-, and ε-lactams by cyclodehydration of ω-amino acids on alumina or silica gel
  作者：Artur Bladé-Font

  DOI：10.1016/s0040-4039(00)93171-x

  日期：1980.1

  It has been found that γ-, α-, and ε-amino acids cyclodehydrate easily to their corresponding lactams by the action of alumina or silica gel in boiling toluene.

  已经发现，在沸腾的甲苯中，通过氧化铝或硅胶的作用，γ-，α-和ε-氨基酸容易脱水成相应的内酰胺。
• [EN] PYRROLIDINE AND BICYCLOHETEROARYL CONTAINING OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA CONTENANT DE LA PYRROLIDINE ET DE LA BICYCLOHÉTÉROARYLE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021094312A1

  公开（公告）日：2021-05-20

  The present invention relates to O-GIcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations; or alpha synucleinopathies, in particular Parkinson's disease, dementia due to Parkinson's (or neurocognitive disorder due to Parkinson's disease), dementia with Lewy bodies, multiple system atrophy, or alpha synucleinopathy caused by Gaucher's disease.

  本发明涉及O-GIcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病，如tau病变，特别是阿尔茨海默病或进行性上行性麻痹；以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩侧索硬化或额颞叶痴呆；或α-突触核蛋白病，特别是帕金森病，由帕金森病引起的痴呆（或由帕金森病引起的神经认知障碍），具有Lewy小体的痴呆，多系统萎缩，或由高雪氏病引起的α-突触核蛋白病。

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