4-羟乙基咪唑 | 872-82-2

• 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: 4-羟乙基咪唑
• 中文别名: 2-[1(3)H-咪唑]-4-yl乙醇；1H-咪唑-4-乙醇
• 英文名称: 2-(1H-imidazol-4-yl)ethanol
• 英文别名: 2-(1H-imidazol-4-yl)ethan-1-ol；4-(2-hydroxyethyl)imidazole；2-(1H-imidazol-5-yl)ethanol
• CAS: 872-82-2
• 化学式: C₅H₈N₂O
• mdl: MFCD00195671
• 分子量: 112.131
• InChiKey: HEEACTTWORLLPM-UHFFFAOYSA-N

物化性质

• 熔点：
  82 °C
• 沸点：
  359.8±17.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 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

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Imidazolyl-4-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: Imidazolyl-4-ethanol
CAS number: 872-82-2

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
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：

  4-羟乙基咪唑 在 palladium on activated charcoal 吡啶 、 盐酸 、 叠氮化锂 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 histamine dichloride
  参考文献：
  名称：

  Battersby; Nicoletti; Staunton, Journal of the Chemical Society. Perkin transactions I, 1980, vol. 1, p. 43 - 51

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(2-hydroxy-ethyl)-1,3-dihydro-imidazole-2-thione 在 硝酸 作用下， 生成 4-羟乙基咪唑
  参考文献：
  名称：

  108. 4（5）-β-烷基氨基乙基乙二醛

  摘要：

  DOI：

  10.1039/jr9350000489

文献信息

• [EN] PIKFYVE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE PIKFYVE
  申请人：ACURASTEM INCORPORATED

  公开号：WO2021163727A1

  公开（公告）日：2021-08-19

  The present invention relates to compounds useful as inhibitors of phosphatidylinositol-3-phosphate 5-kinase (PIKfyve) as well as their use for treating diseases and disorders associated with PIKfyve.

  本发明涉及作为磷脂酰肌醇-3-磷酸5-激酶（PIKfyve）抑制剂的化合物，以及它们用于治疗与PIKfyve相关的疾病和紊乱的用途。
• Diazepinone derivatives
  申请人：BEHNKE Dirk

  公开号：US20140057902A1

  公开（公告）日：2014-02-27

  The invention relates to compound of the formula I or a salt thereof, wherein the substituents are as defined in the specification; to its preparation, to its use as medicament and to medicaments comprising it.

  这项发明涉及公式I的化合物或其盐，其中取代基如规范中所定义；涉及其制备，用作药物以及包含它的药物。
• [EN] DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE<br/>[FR] DÉRIVÉS DE DIAZÉPINONE À UTILISER POUR LE TRAITEMENT DU SYNDROME DE L'X FRAGILE, DE LA MALADIE DE PARKINSON OU DE LA MALADIE DU REFLUX
  申请人：NOVARTIS AG

  公开号：WO2014030128A1

  公开（公告）日：2014-02-27

  The invention relates to compound of the formula (I) or a salt thereof, wherein the substituents are as defined in the specification; to its preparation, to its use as medicament and to medicaments comprising it.

  这项发明涉及公式(I)的化合物或其盐，其中取代基如规范中定义；涉及其制备，涉及其作为药物的用途，以及包含它的药物。
• 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof, and processes for the preparation of both
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US06348461B1

  公开（公告）日：2002-02-19

  The present invention provides 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid compounds and their addition salts, and processes for preparing them, which have antagonism against excitatory amino acid receptors, in particular, an AMPA receptor. The 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid compounds and their addition salts of the present invention are represented by formula (1) wherein Q, R, R1 and R2 are as described in the specification.

  本发明提供了6,7-不对称二取代喹喔啉羧酸化合物及其加合盐，以及制备它们的方法，这些化合物对兴奋性氨基酸受体，特别是AMPA受体具有拮抗作用。本发明的6,7-不对称二取代喹喔啉羧酸化合物及其加合盐由下式表示（1式），其中Q、R、R1和R2如规范中所述。
• [EN] EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF<br/>[FR] INHIBITEURS DE LA POMPE À EFFLUX ET UTILISATIONS THÉRAPEUTIQUES CORRESPONDANTES
  申请人：BASILEA PHARMACEUTICA AG

  公开号：WO2016198691A1

  公开（公告）日：2016-12-15

  The present invention relates to compounds of formula I or pharmaceutically acceptable salt, solvate or hydrate thereof, wherein ASC is -N(R8)(R9)ASC-1 ASC-1 is Ring A represents a 4- to 6-membered saturated ring containing carbon atoms as ring members in addition to the nitrogen atom and wherein one CH2 moiety in ring A is optionally replaced by CH(R21) and wherein one carbon atom in ring A that is not adjacent to the nitrogen atom is optionally replaced by O, and wherein ring A is connected to X via a carbon atom; X represents a bond, -CH2- or -C(=O)-; ARl, AR2 represent independently phenyl or a 5- to 6- membered heteroaryl ring containing one to three heteroatoms selected from O, S and N, wherein AR1 is connected to LI via a carbon atom, and wherein AR2 is connected to L1 and L2 via a carbon atom; R1, R2, R3 represent independently hydrogen, halogen, cyano, hydroxyl, C1-C6alkyl, C1-C6haloalkyl, C3- C8cycloalkyl, C1-C6alkoxy, C1-C6haloalkoxy, -C1-C6alkylene-N(R12)R13, -N(R12)R13, -C(O)OR11l, - C(O)N(R12)R13, -S(O)OR11 or phenyl; R4 represents hydroxyl, hydrogen, halogen, nitro, cyano, amino, C1-C6alkyl optionally substituted by 1 to 5 R14, C2-C6alkenyl optionally substituted by 1 to 5 R14, C2-C6alkynyl optionally substituted by 1 to 5 R14, C1-C6alkoxy optionally substituted by 1 to 5 R14, C2-C6alkenyloxy optionally substituted by 1 to 5 R14, C2-C6alkynyloxy optionally substituted by 1 to 5 R14, -C(O)OR15, -CHO, -C(O)N(R16)R17, -C1- C6alkylene-N(R9)(R16)R17, -O-Cycle-P or -O-Cycle-Q; R5, R6, R7 represent independently hydrogen, halogen, cyano, Cl-C6alkyl, C1-C6haloalkyl, Cl-C6alkoxy or C1-C6haloalkoxy; R8 represents hydrogen, methyl or ASC-1; R9 is methyl or absent, and wherein when R9 is present the respective nitrogen atom carries a positive charge; R10 represents hydrogen or methyl; Rl11 represents independently at each occurrence hydrogen or C1-C6alkyl; R12, R13 represent independently at each occurrence hydrogen or C1-C6alkyl; R14 represents independently at each occurrence halogen, cyano, hydroxyl, C1-C6alkoxy, C1-C6haloalkoxy, C3-C8cycloalkyl, -C(O)OR11, -CHO, -C(O)N(R12)R13, -C1-C6alkylene-N(R12)R13, Cycle-P, O-Cycle-P, Cycle-Q or O-Cycle-Q; Cycle-P represents independently at each occurrence a saturated or partially unsaturated C3-C8 carbocyclic ring optionally substituted by 1 to 3 R18, or a saturated or partially unsaturated C3-C8 heterocyclic ring optionally substituted by 1 to 3 Rl 8 containing carbon atoms as ring members and one or two ring members independently selected from N(R9)(R12), N(R9) and O; Cycle-Q represents independently at each occurrence phenyl optionally substituted by 1 to 3 R19 or a 5- to 6-membered heteroaryl ring containing one to four heteroatoms selected from O, S and N, optionally substituted by 1 to 3 R19; R15 represents independently at each occurrence hydrogen or C1-C6alkyl optionally substituted by 1 to 5 R14; R16 and R17 represent independently at each occurrence hydrogen or C1-C6alkyl optionally substituted by 1 to 5 R14; R18 and R19 represent independently at each occurrence halogen, cyano, hydroxyl, oxo, amino, C1-C4alkyl, C1-C4haloalkyl, C1-C4alkoxy, Cl-C4haloalkoxy or -CO(O)R11; R20 represents independently at each occurrence hydrogen or methyl; R21 represents N(R20)2 or CH2-N(R20)2; LI represents -CH=CH-, -CH2-O-, -O-CH2-, -CH2-O-CH2-,-CH2-S-, -S-CH2-, -CH2-S(O)-, -CH2-S(O2)-, -S(O)-CH2-; -S(O2)-CH2-, -C(CH3)(CH3)-, -C(=O)-NH-, -NH-C(=O)-, -CH2-CH2-, -CH=CH-CH2-, - CH2-NH-C(=O)-, -C(=O)-NH-CH2, -C≡C-, -S(O2)-NH-CH2-, -S(02)-NH, -O-CH2-CH2-O-, -O-, -NH- CH2-, -CH2-NH-, -CH2-CH2-O-, or -NH-C(=O)-CH2-O-, or a bond; L2 represents Cl-C7alkylene, wherein one or more CH2 moieties in the alkylene are optionally replaced independently by -N(R9)(R20)-, -CH(N(R9)(R20)(R20))-, or -C(=0)-, wherein within L2 there are no adjacent C(=O) moieties or adjacent -N(R9)(R20)- moieties, and wherein the terminal moiety of L2 is not - N(R9)(R20)-, or L2 represents -O-C1-C6alkylene-, or L2 represents a bond, providing that X represents - CH2- when L2 is a bond; as well as methods of using the compounds of formula I for treating or preventing bacterial infections.

  本发明涉及以下公式I的化合物或其药学上可接受的盐、溶剂或水合物，其中ASC为-N(R8)(R9)ASC-1，ASC-1为环A，表示一个含有碳原子的4-至6-成员饱和环，除氮原子外还包含碳原子，并且环A中的一个CH2基团可以选择性地被CH(R21)取代，环A中的一个非邻氮原子的碳原子可以选择性地被氧取代，环A通过一个碳原子连接到X；X表示一个键，-CH2-或-C(=O)-；AR1、AR2独立表示苯基或一个含有1至3个氧、硫和氮的杂环的5至6-成员环，其中AR1通过一个碳原子连接到L1，AR2通过一个碳原子连接到L1和L2；R1、R2、R3独立表示氢、卤素、氰基、羟基、C1-C6烷基、C1-C6卤代烷基、C3-C8环烷基、C1-C6烷氧基、C1-C6卤代烷氧基、-C1-C6烷基-N(R12)R13、-N(R12)R13、-C(O)OR11l、-C(O)N(R12)R13、-S(O)OR11或苯基；R4表示羟基、氢、卤素、硝基、氰基、氨基、C1-C6烷基，可选地被1至5个R14取代，C2-C6烯基，可选地被1至5个R14取代，C2-C6炔基，可选地被1至5个R14取代，C1-C6烷氧基，可选地被1至5个R14取代，C2-C6烯氧基，可选地被1至5个R14取代，C2-C6炔氧基，可选地被1至5个R14取代，-C(O)OR15，-CHO，-C(O)N(R16)R17，-C1-C6烷基-N(R9)(R16)R17，-O-Cycle-P或-O-Cycle-Q；R5、R6、R7独立表示氢、卤素、氰基、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基或C1-C6卤代烷氧基；R8表示氢、甲基或ASC-1；R9为甲基或不存在，当R9存在时，相应的氮原子带有正电荷；R10表示氢或甲基；Rl11独立表示每次出现的氢或C1-C6烷基；R12、R13独立表示每次出现的氢或C1-C6烷基；R14独立表示每次出现的卤素、氰基、羟基、C1-C6烷氧基、C1-C6卤代烷氧基、C3-C8环烷基、-C(O)OR11、-CHO、-C(O)N(R12)R13、-C1-C6烷基-N(R12)R13、Cycle-P、O-Cycle-P、Cycle-Q或O-Cycle-Q；Cycle-P独立表示每次出现的饱和或部分不饱和的C3-C8碳环，可选地被1至3个R18取代，或者可选地被1至3个Rl 8取代的饱和或部分不饱和的C3-C8杂环，含有碳原子作为环成员，并且一个或两个环成员独立选择自N(R9)(R12)、N(R9)和O；Cycle-Q独立表示每次出现的苯环，可选地被1至3个R19取代，或者一个含有1至4个氧、硫和氮的5至6-成员杂环，可选地被1至3个R19取代；R15独立表示每次出现的氢或C1-C6烷基，可选地被1至5个R14取代；R16和R17独立表示每次出现的氢或C1-C6烷基，可选地被1至5个R14取代；R18和R19独立表示每次出现的卤素、氰基、羟基、氧、氨基、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、Cl-C4卤代烷氧基或-CO(O)R11；R20独立表示每次出现的氢或甲基；R21表示N(R20)2或CH2-N(R20)2；LI表示-CH=CH-、-CH2-O-、-O-CH2-、-CH2-O-CH2-、-CH2-S-、-S-CH2-、-CH2-S(O)-、-CH2-S(O2)-、-S(O)-CH2-、-S(O2)-CH2-、-C(CH3)(CH3)-、-C(=O)-NH-、-NH-C(=O)-、-CH2-CH2-、-CH=CH-CH2-、-CH2-NH-C(=O)-、-C(=O)-NH-CH2、-C≡C-、-S(O2)-NH-CH2-、-S(02)-NH、-O-CH2-CH2-O-、-O-、-NH-CH2-、-CH2-NH-、-CH2-CH2-O-或-NH-C(=O)-CH2-O-、或一个键；L2表示Cl-C7烷基，其中烷基中的一个或多个CH2基团可以选择性地独立地被-N(R9)(R20)-、-CH(N(R9)(R20)(R20))-或-C(=0)-取代，在L2内没有相邻的C(=O)基团或相邻的-N(R9)(R20)-基团，并且L2的末端基团不是-N(R9)(R20)-，或者L2表示-O-C1-C6烷基-，或者L2表示一个键，只要X在L2是一个键时表示-CH2-；以及使用公式I的化合物治疗或预防细菌感染的方法。