1-(1H-Imidazol-1-yl)ethanone N-乙酰基咪唑

CAS 2466-76-4 MFCD00005287

化学结构图

2466-76-4
SMILES: CC(=O)n1ccnc1

化学属性

Mol. FormulaC5H6N2O
Mol. Weight110.11
Melting Point99-105°C
TSCAYes
Density1.14
Appearance 无色结晶。熔点103-105℃。极易水解。
Stability对湿度敏感
Boiling Point222.0±23.0°C at 760 mmHg

别名和识别编码

Chemical Name1-(1H-Imidazol-1-yl)ethanone
Synonym 1-Acetylimidazole {LY} 1-Acetylimidazole {} {LY} 1-Acetylimidazole {} {} {LY} 1-Acetylimidazole {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Acetylimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005287
PubChem Substance ID17174
Beilstein Registry Number108425
CAS Number2466-76-4
EC Number219-577-7
Reaxys-RN108425
Chemical Name TranslationN-乙酰基咪唑
Wiswesser Line NotationT5N CNJ AV1
LabNetwork Molecule IDLN00222302
InChIInChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
Canonical SMILESCC(N1C=CN=C1)=O
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分类

  • {SNA} Building Blocks, C3 to C8, Chemical Reagents, Chemical Synthesis, Developm
  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles, Molecular Biology, Protein Modification, Protein Structural Analysis, Reagents for tyrosine modification, Specific Amino Acid Modification, 蛋白质组学
  • {SNA} Building Blocks, C3 to C8, Chemical Reagents, Chemical Synthesis, Development Quantities for Research, Heterocyclic Building Blocks, Imidazoles, Protein Modification, Reagents for tyrosine modification, Specifi

产品应用

  • 酪氨酸残基的乙酰化试剂。用于环状咪唑衍生物的合成

相关文献及参考

  • Short: III/20a
  • Short: EINECS
  • Beilstein: 23,V,4,218
  • Mild acylating agent. Reactivity can be enhanced by quaternization with, e.g. benzyl bromide: Chem. Pharm. Bull., 30, 4242 (1982). Acylation of nitromethane salts leads to acylnitro compounds: Synthesis, 478 (1978).
  • Chem. Ber. 125 , 1939, (1992)

安全信息

WGK Germany3
RTECSNI3400000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive Store at 0 {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Signal word Warning
GHS Symbol
Precautionary statements 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg/I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   54,495,1975

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Immunological Including Allergic - decreased immune response
REFERENCE :
   StoGD# Personal Communication from G.D. Stoner, Dept. of Community Medicine,
   School of Medicine, Univ. of California, La Jolla, CA 92037, May 25, 1975 
   Volume(issue)/page/year: 27MAY1975

其他信息

  • 遇水分解，溶于乙酸异丙烯酯。极易水解
  • 方法一:咪唑与乙酸异丙烯酯反应在50毫升圆烧瓶中，加入0.2g(0.03mol)咪唑，20ml乙酸异丙烯酯和几滴浓硫酸。将混合物在60℃保温1h。蒸馏除去少量的乙酸异丙烯酯和丙酮。剩余物用水碳酸钠处理。倾出液体。在空气浴中蒸发至干。得粗品3.1g，产率94%，熔点93-96℃。现经乙酸异丙烯酯重结晶，熔点达到101.5102.5℃。
  • 用途二:作乙酰化试剂，供生化研究用。
  • 毒性分级:高毒
  • 急性毒性:腹腔-小鼠 LDL0: 250 毫克/公斤
  • 用途一:用作医药中间体
  • 类别:有毒物品
  • 图谱信息:1-乙酰基咪唑(2466-76-4)质谱(MS) 1-乙酰基咪唑(2466-76-4)核磁图( 1 HNMR) 1-乙酰基咪唑(2466-76-4)红外图谱(IR1)
  • MOL 文件:2466-76-4.mol
  • 上游原料:乙酸异丙烯酯
  • Acros Organics:1-乙酰咪唑 1-Acetylimidazole, 98%(2466-76-4)
  • TCI Shanghai:N-乙酰基咪唑 N-Acetylimidazole,>;98.0%(GC)(T)(2466-76-4)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • F:10-21
  • MSDS 信息:NAI(2466-76-4).msds
  • Sigma Aldrich:2466-76-4(sigmaaldrich)
  • Alfa Aesar:N-乙酰基咪唑,98% 1-Acetylimidazole, 98%(2466-76-4)
  • 储运特性:库房通风低温干燥
  • 敏感性:Moisture Sensitive
  • 1-乙酰基咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010108 1-乙酰咪唑 100g 800元 2011/04/16 A0694 N-乙酰基咪唑 N-Acetylimidazole 25G 342元 2011/04/16 A0694 N-乙酰基咪唑 N-Acetylimidazole 500G 3180元
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Life Science 生命科学
  2. Proteomics 蛋白质组学
  3. Protein Structural Analysis - Proteomics
  4. Protein Modification - Protein Structural Analysis
  5. Specific Amino Acid Modification - Protein Modification
  6. Reagents for tyrosine modification - Specific Amino Acid Modification
  1. Life Science 生命科学
  2. Proteomics 蛋白质组学
  3. Protein Structural Analysis - Proteomics
  4. Protein Modification - Protein Structural Analysis
  5. Specific Amino Acid Modification - Protein Modification
  6. Reagents for tyrosine modification - Specific Amino Acid Modification
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles
  1. Analytical & Chromatography 分析化学与色谱
  2. GC Derivatizing Reagents
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Proteomics
  4. Protein Structural Analysis
  5. Protein Modification
  6. Specific Amino Acid Modification
  7. Reagents for tryptophan modification

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