- 4,5-Diiodo-1H-imidazole
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- $50.00 / 1kg
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2024-04-02
- CAS:15813-09-9
- Min. Order: 1kg
- Purity: 99.5%
- Supply Ability: 20 tons
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| | 4,5-Diiodo-1H-imidazole Basic information |
| | 4,5-Diiodo-1H-imidazole Chemical Properties |
| Melting point | 197-198°C | | Boiling point | 436.9±30.0 °C(Predicted) | | density | 3.042±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | pka | 9.31±0.10(Predicted) | | form | solid | | color | Off-white | | InChI | InChI=1S/C3H2I2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7) | | InChIKey | XMWPTVMTXKJONE-UHFFFAOYSA-N | | SMILES | C1NC(I)=C(I)N=1 | | CAS DataBase Reference | 15813-09-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39 | | HazardClass | IRRITANT | | HS Code | 2933299090 |
| | 4,5-Diiodo-1H-imidazole Usage And Synthesis |
| Uses | suzuki reaction | | Synthesis | The general procedure for the synthesis of 4,5-diiodoimidazole from imidazole was as follows: a mixture of potassium iodide (KI, 29.3 g, 176.0 mmol) and iodine (I2, 22.4 g, 88.0 mmol) in water (60 mL) was added to a solution of 1H-imidazole (3.0 g, 44.1 mmol) dissolved in 2M sodium hydroxide (NaOH, 10.6 g, 264.5 mmol) solution. The reaction mixture was stirred at 20 °C for 3 h and subsequently neutralized by adjusting the pH to 7 with 6 M hydrochloric acid (HCl). The resulting solid product was collected by filtration and purified by recrystallization with ethanol to give the final 4,5-diiodoimidazole as an anhydrous solid (14.0 g, 99.0% yield). The melting point was 166-168 °C. 1H NMR (300 MHz, DMSO-d6) δ (ppm): 12.75 (broad peak, 1H), 7.8 (broad peak, 1H). Mass spectrum (EI) m/z: 320.8 [MH]+. | | References | [1] European Journal of Medicinal Chemistry, 2017, vol. 140, p. 293 - 304
[2] Patent: CN107501272, 2017, A. Location in patent: Paragraph 0085; 0086; 0087; 0088
[3] Synlett, 2004, # 7, p. 1306 - 1308
[4] Advanced Synthesis and Catalysis, 2013, vol. 355, # 2-3, p. 499 - 507
[5] Advanced Synthesis and Catalysis, 2013, vol. 355, # 16, p. 3231 - 3243 |
| | 4,5-Diiodo-1H-imidazole Preparation Products And Raw materials |
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