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


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