Introduction：Basic information about 1H-Imidazole-4-carbaldehyde CAS 3034-50-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1H-Imidazole-4-carbaldehyde Basic information
| Product Name: | 1H-Imidazole-4-carbaldehyde |
| Synonyms: | 1H-IMIDAZOLE-4-CARBOXALDEHYDE;1H-IMIDAZOLE-4-CARBALDEHYDE;IMIDAZOLE-4-CARBOXALDEHYDE;4(5)-IMIDAZOLECARBOXALDEHYDE;4-IMIDAZOLECARBOXALDEHYDE;4-FORMYLIMIDAZOLE;FORMYLIMIDAZOLE;4-Formylimidazole 98% |
| CAS: | 3034-50-2 |
| MF: | C4H4N2O |
| MW: | 96.09 |
| EINECS: | 221-227-3 |
| Product Categories: | Heterocycle-other series;Giracodazole;Heterocycles series;Aldehydes;Imidazoles & Benzimidazoles;Imidazoles & Benzimidazoles;Nitrogen cyclic compounds;Heterocycles;Carbonyl Compounds;Imidazol&Benzimidazole;Imidaxoles;john's |
| Mol File: | 3034-50-2.mol |
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1H-Imidazole-4-carbaldehyde Chemical Properties
| Melting point | 174-177 °C (lit.) |
| Boiling point | 367.8±15.0 °C(Predicted) |
| density | 1.322±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Soluble in DMSO, methanol. |
| form | Solid |
| pka | 11.05±0.10(Predicted) |
| color | Light Tan |
| Sensitive | Air Sensitive |
| InChI | InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6) |
| InChIKey | ZQEXIXXJFSQPNA-UHFFFAOYSA-N |
| SMILES | C1NC(C=O)=CN=1 |
| CAS DataBase Reference | 3034-50-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 26-36-36/37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29332900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
1H-Imidazole-4-carbaldehyde Usage And Synthesis
| Chemical Properties | White to light yellow powder |
| Uses | 1H-Imidazole-4-carbaldehyde is a 4-formyl derivative of imidazole used in the preparation of C17,20-lyase inhibitor for the treatment of androgen-dependent prostate cancer. It is also used in the synthesis of other biologically active compounds such as antimalarial drugs, fabrication of colorimetric chemosensor. |
| Application | 1H-Imidazole-4-carbaldehyde may be used in the following studies:Synthesis of new donor-Π-acceptor (D-Π-A) type dye. Preparation of ethyl, n-dodecyl and n-hexadecyl esters of urocanic acid (4-imidazoleacrylic acid). Fabrication of colorimetric chemosensor. Synthesis of chiral nickel(II) complex, [Ni(II)H3L](ClO4)2, having an achiral ligand H3L (tris{2-(4-imidazolyl)methyliminoethyl}amine). |
| Synthesis | To a solution of 4-bromo-1H-imidazole in dry THF at 0 ℃ was added, a 2 M solution of i-PrMgCl in THF for 5 min. The clear solution was stirred at that temperature for an additional 5 min, and a 2.5 M solution of n-BuLi in hexanes was added dropwise for 5 min while maintaining the temperature below 20 ℃. The resulting mixture was stirred at that temperature for 0.5 h, and dry DMF was added to 20℃. The mixture was warmed to 20 ℃ in 0.5 h and quenched with water (6 mL). After stirring for 10 min, the phases were separated, and the water phase was extracted one additional time with ethyl acetate. After purification to afford 1H-Imidazole-4-carbaldehyde as an off-white solid, 0.36 g (yield: 85%).
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| References | [1] Molecules, 2017, vol. 22, # 11, |
1H-Imidazole-4-carbaldehyde Preparation Products And Raw materials
| Raw materials | Hydrochloric acid-->Diethyl ether-->N,N-Dimethylformamide-->Sodium carbonate-->Acetic anhydride-->Triethylamine-->Ammonium hydroxide-->Ammonia-->Benzene-->Ammonium chloride-->1,4-Dioxane-->Formaldehyde-->Isopropyl alcohol-->Magnesium-->Sodium sulfite-->Manganese dioxide-->Iodine-->Bromoethane-->Copper(II) sulfate-->Hydrogen Sulfide-->Imidazole-->PICRIC ACID-->D(-)-Fructose-->4,5-Imidazoledicarboxylic acid-->Triphenylmethyl Chloride |
| Preparation Products | 2-(3H-Imidazol-4-yl)-ethylamine |
