2466-76-4
1-Acetylimidazole
CAS: 2466-76-4
Molecular Formula: C5H6N2O
2466-76-4 - Names and Identifiers
| Name | 1-Acetylimidazole |
| Synonyms | NAI N-ACETYLIMIDAZOL N-Acetylimidazole 1-Acetylimidazole 1-acetyl-1H-imidazole 1-Imidazol-1-ylethanone 1-Imidazolylmethyl ketone 1-(1H-imidazol-1-yl)ethanone 1-(1H-Imidazole-1-yl)ethanone N-ACETYLIMIDAZOLE extrapure AR |
| CAS | 2466-76-4 |
| EINECS | 219-577-7 |
| InChI | InChI=1/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3 |
2466-76-4 - Physico-chemical Properties
| Molecular Formula | C5H6N2O | ||||||
| Molar Mass | 110.11 | ||||||
| Density | 1.2111 (rough estimate) | ||||||
| Melting Point | 99-105 °C (lit.) | ||||||
| Boling Point | 206.4°C (rough estimate) | ||||||
| Flash Point | 88°C | ||||||
| Water Solubility | Hydrolyzes in water. Solubility in methanol (almost transparency). | ||||||
| Solubility | water: soluble50mg/mL, clear, colorless | ||||||
| Vapor Presure | 0.104mmHg at 25°C | ||||||
| Appearance | Colorless crystal | ||||||
| Color | White to beige or light tan | ||||||
| BRN | 108425 | ||||||
| pKa | pKa 3.6(H2O,t = 25,I=0.2) (Uncertain) | ||||||
| Storage Condition | 2-8°C | ||||||
| Stability | Moisture Sensitive | ||||||
| Sensitive | Moisture Sensitive | ||||||
| Refractive Index | 1.4800 (estimate) | ||||||
| MDL | MFCD00005287 | ||||||
| Physical and Chemical Properties |
| ||||||
| Use | For pharmaceutical intermediates. |
2466-76-4 - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | NI3400000 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | Yes |
| HS Code | 29332900 |
2466-76-4 - Introduction
Decomposed in water and dissolved in isopropyl acetate. Easily hydrolyzed
Last Update：2022-10-16 17:15:15
2466-76-4 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | 1-acetyl imidazole is an organic intermediate, which can be obtained by acylation of imidazole and acetic anhydride. It has been reported that it can be used to prepare acetylated methyl-D-pyranoside and copper-based catalytic systems. 1-Acetyl imidazole is an imidazole derivative, which can be used as a pharmaceutical intermediate. |
| preparation | acetic anhydride (50mL,0.55mol) is added to the solution of compound imidazole (34g,0.5mol) in ethyl acetate (800mL). The resulting mixture was stirred at room temperature under nitrogen for 12 hours. Add anhydrous potassium carbonate (137.5g,1mol) and continue stirring for 30 minutes. Subsequently, the reaction mixture was filtered through the diatomite route and the filtrate was concentrated to obtain the required compound 1-acetylimidazole (52g, yield 95%) in a white solid form. |
| Use | As an acetylation reagent for biochemical research. Used as a pharmaceutical intermediate Used as a pharmaceutical intermediate. Acetylation reagent for tyrosine residues. Used for the synthesis of cyclic imidazole derivatives an acetylation reagent. |
| production method | imidazole reacts with isopropyl acetate in a 50 ml round flask, adding 0.2g(0.03mol) imidazole, 20ml isopropyl acetate and a few drops of concentrated sulfuric acid. Keep the mixture at 60 ℃ for 1h. Distillation removes small amounts of isopropyl acetate and acetone. The remainder is treated with sodium carbonate with water. Pour out the liquid. Evaporate in the air bath to dry. 3.1g of crude product was obtained with a yield of 94% and a melting point of 93-96 ℃. Now recrystallized by isopropyl acetate, the melting point reaches 101.5102.5 ℃. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | abdominal cavity-mouse LDL0: 250 mg/kg |
| flammability hazard characteristics | flammability; heating decomposition releases toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 15:16:49
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