2-甲基-5-羟基嘧啶 | 35231-56-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-甲基-5-羟基嘧啶
• 中文别名: 5-羟基-2-甲基嘧啶
• 英文名称: 2-methylpyrimidin-5-ol
• 英文别名: 5-hydroxy-2-methylpyrimidine
• CAS: 35231-56-2
• 化学式: C₅H₆N₂O
• mdl: MFCD09879706
• 分子量: 110.115
• InChiKey: OHFVPBGSKPYIED-UHFFFAOYSA-N

物化性质

• 熔点：
  175-179℃
• 沸点：
  208℃
• 密度：
  1.215
• 闪点：
  80℃

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：
  0.2
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methylpyrimidin-5-ol
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-Methylpyrimidin-5-ol
CAS number: 35231-56-2

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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: C5H6N2O
Molecular weight: 110.1

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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：

  2-甲基-5-羟基嘧啶 在 potassium phosphate 、 四(三苯基膦)钯 、 potassium carbonate 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 、 三氟乙酸 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.67h， 生成 8-chloro-4-fluoro-N-methyl-12-((2-methylpyrimidin-5-yl)oxy)-5,6-dihydro-1H-1,6,11,13-tetraazabenzo[5,6]cycloocta[1,2,3,4-def]fluoren-2-amine
  参考文献：
  名称：

  [EN] TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS
  [FR] INHIBITEURS TRICYCLIQUES DE GYRASE UTILISABLES COMME AGENTS ANTIBACTÉRIENS

  摘要：

  本文披露了具有化学式I结构的化合物及其药用盐、酯和前药，这些化合物可用作抗菌有效的三环酶抑制剂。此外，本文还披露了三环酶抑制剂化合物的种属。还考虑了相关的药用组合物、用途和制备这些化合物的方法。

  公开号：

  WO2014043272A1
• 作为产物：
  描述：

  2-甲基-5-溴嘧啶 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 7.0h， 以40%的产率得到2-甲基-5-羟基嘧啶
  参考文献：
  名称：

  3-羟基吡啶和5-羟基嘧啶的酸碱反应的紫外光谱研究

  摘要：

  DOI：

  10.1007/bf00479612

文献信息

• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243527A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GlcNAc 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.

  本发明涉及O-GlcNAc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有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性核上性麻痹症；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症。
• [EN] TRICYCLIC GYRASE INHIBITORS<br/>[FR] INHIBITEURS DE LA GYRASE TRICYCLIQUE
  申请人：TRIUS THERAPEUTICS INC

  公开号：WO2015038661A1

  公开（公告）日：2015-03-19

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.

  本文披露了具有化学式I结构的化合物，以及作为抗菌有效的三环酶抑制剂的药用盐、酯和前药，相关的药物组合物、用途和制备这些化合物的方法也在考虑之中。
• [EN] NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2<br/>[FR] MODULATEURS ALLOSTÉRIQUES NÉGATIFS DU RÉCEPTEUR MÉTABOTROPIQUE DU GLUTAMATE DE TYPE 2
  申请人：UNIV VANDERBILT

  公开号：WO2016149324A1

  公开（公告）日：2016-09-22

  Described are negative allosteric modulators of metabotropic glutamate receptor 2 (mGlu2), pharmaceutical compositions including the compounds, and methods of using the compounds and compositions for treating depression, anxiety, obsessive-compulsive disorder, cognitive disorders, Alzheimer's disease, or autism spectrum disorders in a subject.

  描述了代谢型谷氨酸受体2（mGlu2）的负变构调节剂，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗受试者的抑郁症、焦虑症、强迫症、认知障碍、阿尔茨海默病或自闭症谱系障碍的方法。
• Design of 4-Oxo-1-aryl-1,4-dihydroquinoline-3-carboxamides as Selective Negative Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 2
  作者：Andrew S. Felts、Alice L. Rodriguez、Katrina A. Smith、Julie L. Engers、Ryan D. Morrison、Frank W. Byers、Anna L. Blobaum、Charles W. Locuson、Sichen Chang、Daryl F. Venable、Colleen M. Niswender、J. Scott Daniels、P. Jeffrey Conn、Craig W. Lindsley、Kyle A. Emmitte

  DOI：10.1021/acs.jmedchem.5b01371

  日期：2015.11.25

  selective mGlu2 negative allosteric modulator 58 (VU6001192) from a series of 4-oxo-1-aryl-1,4-dihydroquinoline-3-carboxamides. The concept for the design of this series centered on morphing a quinoline series recently disclosed in the patent literature into a chemotype previously used for the preparation of muscarinic acetylcholine receptor subtype 1 positive allosteric modulators. Compound 58 exhibits

  II组代谢型谷氨酸受体（mGlus）的正构和变构拮抗剂都已被用于建立mGlu2 / 3抑制与多种中枢神经系统疾病和病症之间的联系。尽管与mGlu家族的其余六个成员相比，这些工具通常对mGlu2 / 3具有良好的选择性，但事实证明，仅对单独的II类mGlus之一具有选择性的化合物。在本文中，我们报道了从一系列4-氧-1-芳基-1,4-二氢喹啉-3-羧酰胺中发现的有效且高度选择性的mGlu2负变构调节剂58（VU6001192）。该系列的设计思想集中在将专利文献中最近公开的喹啉系列转变为先前用于制备毒蕈碱型乙酰胆碱受体亚型1阳性变构调节剂的化学型。化合物58表现出良好的特性，将成为了解选择性抑制CNS中mGlu2的生物学意义的有用工具。
• Negative allosteric modulators of metabotropic glutamate receptor 2
  申请人：Vanderbilt University

  公开号：US09382208B1

  公开（公告）日：2016-07-05

  Described are negative allosteric modulators of metabotropic glutamate receptor 2 (mGlu2), pharmaceutical compositions including the compounds, and methods of using the compounds and compositions for treating depression, anxiety, obsessive-compulsive disorder, cognitive disorders, Alzheimer's disease, or autism spectrum disorders in a subject.

  描述了负性变构调节剂对代谢型谷氨酸受体2（mGlu2）的作用，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗受试者的抑郁症、焦虑症、强迫症、认知障碍、阿尔茨海默病或自闭症谱系障碍的方法。