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| | 3,5-Dimethyl-4-iodopyrazole Basic information |
| Product Name: | 3,5-Dimethyl-4-iodopyrazole | | Synonyms: | 3,5-Dimethyl-4-iodopyrazole,98%;3.5-Dimethyl-4-lodo pyrazole;4-iodo-3,5-dimethyl-1H-pyrazole(SALTDATA: FREE);3,5-Dimethyl-4-iodo-1H-pyrazole;3,5-Dimethyl-4-iodo-1H-pyrazole 97%;Pyrazole, 3,5-dimethyl-4-iodo-;3,5-DIMETHYL-4-IODO-1H-PYRAZOLE;3,5-DIMETHYL-4-IODOPYRAZOLE | | CAS: | 2033-45-6 | | MF: | C5H7IN2 | | MW: | 222.03 | | EINECS: | | | Product Categories: | Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrazoles | | Mol File: | 2033-45-6.mol |  |
| | 3,5-Dimethyl-4-iodopyrazole Chemical Properties |
| Melting point | 136-140 °C | | Boiling point | 297.3±35.0 °C(Predicted) | | density | 1.920±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 14.11±0.50(Predicted) | | color | White to Almost white | | Sensitive | Light Sensitive | | λmax | 223nm(EtOH)(lit.) | | InChI | 1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8) | | InChIKey | MZZXIXHKDJNBJQ-UHFFFAOYSA-N | | SMILES | Cc1n[nH]c(C)c1I | | CAS DataBase Reference | 2033-45-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 37/38-41 | | Safety Statements | 24/25-39-26 | | WGK Germany | 3 | | RTECS | UQ6517000 | | HazardClass | IRRITANT | | HS Code | 29331990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Dam. 1
Skin Irrit. 2
STOT SE 3 | | Toxicity | mouse,LD50,intraperitoneal,550mg/kg (550mg/kg),Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962. |
| | 3,5-Dimethyl-4-iodopyrazole Usage And Synthesis |
| Chemical Properties | white crystalline chunks | | Synthesis | In a 250 mL round bottom flask, 3,5-dimethyl-1H-pyrazole (0.5 g, 5 mmol), iodine (I2, 0.79 g, 30 mmol) and ceric ammonium nitrate (CAN, 1.71 g, 3 mmol) were dissolved in 70 mL of acetonitrile (CH3CN). The reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the solvent was removed by rotary evaporator. The residue was dissolved in ethyl acetate (AcOEt) and washed sequentially with 10% aqueous sodium thiosulfate (Na2S2O3) and saturated saline. The aqueous phase was extracted once more with ethyl acetate, all organic phases were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated to dryness to afford 1.15 g (100% yield) of crude 4-iodo-3,5-dimethyl-1H-pyrazole, which was used in the subsequent reaction without further purification.LC-MS (MH+): 223. | | References | [1] Patent: WO2006/128692, 2006, A2. Location in patent: Page/Page column 76
[2] Canadian Journal of Chemistry, 1992, vol. 70, # 4, p. 1121 - 1128
[3] Tetrahedron Letters, 2005, vol. 46, # 40, p. 6833 - 6837
[4] Tetrahedron Letters, 2001, vol. 42, # 5, p. 863 - 865
[5] Synthesis, 2001, # 11, p. 1711 - 1715 |
| | 3,5-Dimethyl-4-iodopyrazole Preparation Products And Raw materials |
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