1,3-二氢咪唑-2-酮 | 5918-93-4

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,3-二氢咪唑-2-酮
• 中文别名: 1H-咪唑-2(3H)-酮；1,3-二氢-2H-咪唑-2-酮
• 英文名称: 1,3-dihydroimidazolone
• 英文别名: Imidazolin-2-on；1H-imidazol-2(3H)-one；1,3-dihydro-2-imidazolone；2,3-dihydro-1H-imidazol-2-one；1,3-dihydroimidazol-2-one
• CAS: 5918-93-4
• 化学式: C₃H₄N₂O
• mdl: MFCD00040252
• 分子量: 84.0776
• InChiKey: AICIYIDUYNFPRY-UHFFFAOYSA-N

物化性质

• 熔点：
  240-243 °C
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933290090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 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: 1,3-Dihydroimidazol-2-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: 1,3-Dihydroimidazol-2-one
CAS number: 5918-93-4

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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: C3H4N2O
Molecular weight: 84.1

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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

制备方法与用途

应用广泛，1,3-二氢咪唑-2-酮可作为有机合成中间体和医药中间体，在实验室研发过程中及医药化工合成中发挥重要作用。

反应信息

• 作为反应物：
  描述：

  1,3-二氢咪唑-2-酮 在 硝酸 作用下， 生成 仲班酸
  参考文献：
  名称：

  Marlin, John E.; Killpack, Michael O., Heterocycles, 1992, vol. 34, # 7, p. 1385 - 1393

  摘要：

  DOI：
• 作为产物：
  描述：

  海因 在 二异丁基氢化铝 、 水 作用下， 以 四氢呋喃 、 甲苯 、 甲醇 为溶剂， 反应 20.5h， 以83%的产率得到1,3-二氢咪唑-2-酮
  参考文献：
  名称：

  路易斯酸催化供体-受体间-二氨基环丙烷的对映选择性脱对称

  摘要：

  据报道，路易斯酸首次催化了供体-受体内消旋二氨基环丙烷的对映选择性开环脱对称。铜（II）催化的吲哚和一个吡咯与前所未有的内消旋-二氨基环丙烷的吲哚和一个吡咯烷基化反应提供了对映体富集的，非对映体纯的尿素产品，该产品在结构上与天然和合成的生物活性化合物有关。通过研究未开发的双（恶唑啉）配体亚类，开发新的配体对于实现高对映选择性是必不可少的。

  DOI：

  10.1002/anie.201800494

文献信息

• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINES DE KINASE 1 ASSOCIÉS AU RÉCEPTEUR DE L'INTERLEUKINE 1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021018118A1

  公开（公告）日：2021-02-04

  The present invention relates to compounds comprising an interleukin-1 receptor-associated kinase 1 (IRAK1) protein binding moiety and a Von Hippel-Lindau (VHL) E3 ubiquitin ligase binding moiety, and associated methods of use. The compounds are useful as modulators of targeted ubiquitination, especially with respect to IRAK1, which is degraded by the compounds according to the invention.

  本发明涉及包含白细胞介素-1受体相关激酶1（IRAK1）蛋白结合基团和Von Hippel-Lindau（VHL）E3泛素连接酶结合基团的化合物，以及相关的使用方法。这些化合物可用作靶向泛素化的调节剂，特别是在与根据本发明降解的IRAK1相关的情况下。
• [EN] QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS<br/>[FR] DERIVES DE QUINOLINE ET DE QUINAZOLINE PRESENTANT UNE AFFINITE VIS-A-VIS DES RECEPTEURS DU TYPE 5HT1
  申请人：GLAXO GROUP LTD

  公开号：WO2005014552A1

  公开（公告）日：2005-02-17

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are provided: wherein R1, m, X, R2, n, W, p, Y, Z, R3, R4, R5 and q have the meanings as defined in the description. Methods of preparation and uses thereof in therapy, particularly for CNS disorders such as depression or anxiety, are also disclosed.

  提供了式(I)的化合物及其药用盐：其中R1、m、X、R2、n、W、p、Y、Z、R3、R4、R5和q的含义如描述中所定义。还公开了制备方法以及在治疗中的用途，特别是用于抑郁症或焦虑等中枢神经系统疾病。
• 甾体类化合物、用途及其制备方法
  申请人：成都康弘药业集团股份有限公司

  公开号：CN111410678B

  公开（公告）日：2023-02-28

  本发明涉及甾体类化合物、用途及其制备方法；预期该类化合物能够有效的治疗精神神经类疾病，具有良好的活性效力、药代动力学(PK)性能、口服生物利用度、稳定性、安全性、清除率和/或代谢性能等。
• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS D'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE (NO 5) LTD

  公开号：WO2016172425A1

  公开（公告）日：2016-10-27

  Compounds of Formulas I-VI, including pharmaceutically acceptable salts thereof, and compositions and methods for treating human immunodeficiency virus (HIV) infection are set forth. Formula I is exemplified below: Formula (i)

  公式I-VI的化合物，包括其药用可接受的盐，以及用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法。公式I如下所示：公式（i）
• Ruthenium-catalyzed synthesis of vinylamides at low acetylene pressure
  作者：Elena Semina、Pavel Tuzina、Frank Bienewald、A. Stephen K. Hashmi、Thomas Schaub

  DOI：10.1039/d0cc01533d

  日期：——

  The reaction of cyclic amides with acetylene under low pressure, using ruthenium-phosphine catalysts, afforded a broad variety of N-vinylated amides including (azabicyclic) lactams, oxazolidinones, benzoisoxazolones, isoindolinones, quinoxalinones, oxazinanones, cyclic urea derivatives (imidazolidinones), nucleobases (thymine), amino acid anhydrides and thiazolidinone.

  使用钌膦催化剂，使环酰胺在低压下与乙炔反应，得到各种N-乙烯基化的酰胺，包括（氮杂双环）内酰胺，恶唑烷酮，苯并异恶唑酮，异吲哚啉酮，喹喔啉酮，恶唑烷酮，环脲衍生物（咪唑啉基） （胸腺嘧啶），氨基酸酸酐和噻唑烷酮。

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