2-(2-咪唑基)乙醇 | 51036-79-4

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(2-咪唑基)乙醇
• 中文别名: 2-(1H-咪唑-2-基)-乙醇；2-(1-金刚烷基)-4-溴苯酚
• 英文名称: 2-(1H-imidazol-2-yl)ethanol
• 英文别名: 2-(2-Hydroxyethyl)imidazole
• CAS: 51036-79-4
• 化学式: C₅H₈N₂O
• mdl: MFCD06655989
• 分子量: 112.131
• InChiKey: JEUPWQVILXWUFD-UHFFFAOYSA-N

物化性质

• 熔点：
  127 °C
• 沸点：
  382.9±25.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933290090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(1H-Imidazol-2-yl)-ethanol
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-(1H-Imidazol-2-yl)-ethanol
CAS number: 51036-79-4

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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: C5H8N2O
Molecular weight: 112.1

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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-(2-咪唑基)乙醇 在 咪唑 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 {2-[2-(tert-butyldimethylsilanyloxy)ethyl]imidazol-1-yl}acetic acid ethyl ester
  参考文献：
  名称：

  [EN] 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS
  [FR] 7-OXO-6-(SULFOOXY)-1,6-DIAZABICYCLO[3.2.1] OCTANE CONTENANT DES COMPOSÉS ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS BACTÉRIENNES

  摘要：

  化合物的公式（I）或其立体异构体或药学上可接受的盐，其制备以及在治疗细菌感染中的用途被披露。

  公开号：

  WO2017081615A1
• 作为产物：
  描述：

  3-羟基丙腈 在 盐酸 、 甲醇 、 乙醚 作用下， 生成 2-(2-咪唑基)乙醇
  参考文献：
  名称：

  2-Vinylimidazole and 1-Methyl-2-vinylimidazole

  摘要：

  DOI：

  10.1021/ja01110a029
• 作为试剂：
  描述：

  丙烯酸甲酯（MA） 、 2-(2-咪唑基)乙醇 、 吩噻嗪 、 4-甲氧基苯酚 在 2-(2-咪唑基)乙醇 作用下， 反应 5.0h， 生成 Hydroxyethylimidazole Acrylate
  参考文献：
  名称：

  Process for preparing (meth)acrylic esters of N-hydroxyalkylated imidazoles

  摘要：

  一种制备N-羟基烷基化咪唑酯（F）的（甲基）丙烯酸酯的过程，其中N-羟基烷基化咪唑酯（I）中，R1和R2可以分别是氢或C1-C20烷基，R3，R4和R5分别是氢或C1-C20烷基，C1-C20烷基羰基，C2-C20烯基，C2-C20烯基羰基，C2-C20炔基，C2-C20炔基羰基，C3-C15环烷基，C3-C15环烷基羰基，芳基，芳基羰基，杂环或卤素原子，m和n分别是0到20之间的整数，在每种情况下，m和n不能同时为0，并且在由变量m和n括起来的特定单元中以任何顺序存在，并且在m≧2的情况下，R1和R2基团在特定单元中各自独立，在至少存在一种催化剂（K）的情况下，与（甲基）丙烯酸（S）酯化或与至少一种（甲基）丙烯酸酯（D）发生酯交反应。

  公开号：

  US08026374B2

文献信息

• [EN] KRAS G12D INHIBITORS<br/>[FR] INHIBITEURS DE KRAS G12D
  申请人：MIRATI THERAPEUTICS INC

  公开号：WO2021041671A1

  公开（公告）日：2021-03-04

  The present invention relates to compounds that inhibit KRas G12D. In particular, the present invention relates to compounds that inhibit the activity of KRas G12D, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制KRas G12D的化合物。具体地，本发明涉及抑制KRas G12D活性的化合物，包括这些化合物的药物组合物以及使用方法。
• [EN] NEW MACROCYCLIC LRRK2 KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS MACROCYCLIQUES DE LA LRRK2 KINASE
  申请人：SERVIER LAB

  公开号：WO2021224320A1

  公开（公告）日：2021-11-11

  Compounds of formula (I): wherein R, X1, X2, X3, Z1, Z2, Z3, A and Ra are as defined in the description. Medicaments.

  式(I)的化合物：其中R、X1、X2、X3、Z1、Z2、Z3、A和Ra的定义如描述中所述。药物。
• Novel oxidized thioether derivatives
  申请人：Bossenmaier Birgit

  公开号：US20050203064A1

  公开（公告）日：2005-09-15

  The present invention provides the compounds of formula I their pharmaceutically acceptable salts or esters, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明提供了式I的化合物及其药用盐或酯、对映体形式、非对映异构体和混合物，上述化合物的制备，含有它们的药物组合物及其制备，以及上述化合物在控制或预防癌症等疾病中的应用。
• Novel pentafluorosulfanyl compounds
  申请人：Bossenmaier Birgit

  公开号：US20050197370A1

  公开（公告）日：2005-09-08

  The present invention provides the compounds of formula I-A their pharmaceutically acceptable salts or esters, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明提供了公式I-A的化合物及其药学上可接受的盐或酯，对映体形式、二对映异构体和拉克酸盐，上述化合物的制备，含有它们的药物组合物及其制备，以及上述化合物在控制或预防癌症等疾病中的应用。
• Preventive/therapeutic method for cancer
  申请人：——

  公开号：US20040138160A1

  公开（公告）日：2004-07-15

  This invention provides a prophylactic or therapeutic method for cancer. A prophylactic or therapeutic method for cancer, which is characterized by selectively inhibiting ErbB-2 (HER2) to block information signals of multimers of the epithelial growth factor receptor family.

  这项发明提供了一种预防或治疗癌症的方法。一种预防或治疗癌症的方法，其特征在于选择性地抑制ErbB-2（HER2），以阻断上皮生长因子受体家族的多聚体的信息信号。