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| | 4-IODO-2-METHYLPHENOL Basic information |
| | 4-IODO-2-METHYLPHENOL Chemical Properties |
| Melting point | 67-68 °C(lit.) | | Boiling point | 105-110 °C2 mm Hg(lit.) | | density | 1.7904 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | 9.70±0.18(Predicted) | | Appearance | Off-white to light brown Solid | | InChI | 1S/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 | | InChIKey | WSBDSSKIWDFOBQ-UHFFFAOYSA-N | | SMILES | Cc1cc(I)ccc1O |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-IODO-2-METHYLPHENOL Usage And Synthesis |
| Uses | 4-Iodo-2-methylphenol was used as starting reagent in the synthesis of an agonist for the peroxisome proliferator-activated receptor δ (PPARδ) GW501516, a potential antiobesity drug. | | General Description | 4-Iodo-2-methylphenol was prepared by direct iodination of 2-methylphenol in aqueous alcohol solvents by the action of a reagent prepared in situ from sodium hypochlorite and sodium iodide. | | Synthesis | General procedure for the synthesis of 4-iodo-2-cresol from o-cresol: to a stirred solution of o-cresol (1 mmol) in dichloromethane (CH2Cl2) or 1,2-dichloroethane ((CH2Cl)2) (0.1 M) was sequentially added Ph3PAuNTf2 (0.025 mmol, 19 mg; if using a 2:1 Ph3PAuNTf2 with toluene complex with toluene) and N-iodosuccinimide (NIS, 1.1 mmol, 248 mg). The reaction mixture was stirred at room temperature or reacted under reflux conditions until complete conversion of o-cresol was confirmed by thin layer chromatography (TLC) monitoring. Upon completion of the reaction, the solvent was evaporated under reduced pressure and the resulting crude product was purified by fast column chromatography using different ratios of hexane and ethyl acetate (EtOAc) as eluents, resulting in pure 4-iodo-2-cresol. | | References | [1] Synlett, 2014, vol. 25, # 3, p. 399 - 402
[2] Chemistry - A European Journal, 2013, vol. 19, # 7, p. 2442 - 2449
[3] Asian Journal of Chemistry, 2018, vol. 30, # 7, p. 1659 - 1663
[4] Journal of Chemical Research, 2004, # 4, p. 294 - 295
[5] Chinese Chemical Letters, 2012, vol. 23, # 3, p. 261 - 264 |
| | 4-IODO-2-METHYLPHENOL Preparation Products And Raw materials |
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