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| | 2,5-DIMETHOXYBENZONITRILE Basic information |
| | 2,5-DIMETHOXYBENZONITRILE Chemical Properties |
| Melting point | 81-85 °C (lit.) | | Boiling point | 288.8±25.0 °C(Predicted) | | density | 1.12±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | color | White to Yellow to Orange | | BRN | 2691937 | | InChI | 1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3 | | InChIKey | HWAMEJIMXIXLIH-UHFFFAOYSA-N | | SMILES | COc1ccc(OC)c(c1)C#N | | CAS DataBase Reference | 5312-97-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37 | | RIDADR | 3276 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,5-DIMETHOXYBENZONITRILE Usage And Synthesis |
| Synthesis | At 0 °C, n-butyllithium (1.67 M hexane solution, 2.9 mL, 4.8 mmol) was slowly added dropwise to a solution of 1,3-dimethoxybenzene (0.55 g, 4.0 mmol) in tetrahydrofuran (5 mL). The reaction mixture was stirred continuously at 0 °C for 2 hours. Subsequently, N,N-dimethylformamide (0.34 mL, 4.4 mmol) was added to the mixture and stirring was continued for 2 hours at 0 °C. Upon completion of the reaction, ammonia solution (8 mL, 120 mmol) and iodine (1.12 g, 4.4 mmol) were added and the mixture was transferred to room temperature and stirred for 2 hours. The reaction mixture was quenched with saturated aqueous sodium sulfite solution (15 mL) and extracted several times with ether (3 x 20 mL). The organic layers were combined, washed with saturated saline and dried over anhydrous sodium sulfate to give the crude product 2,6-dimethoxybenzonitrile with a purity of over 80%. The crude product was purified by silica gel short-column chromatography (eluent: hexane/ethyl acetate=3:1) to afford pure 2,6-dimethoxybenzonitrile as a colorless solid in 91% yield. | | References | [1] Synlett, 2010, # 10, p. 1562 - 1566
[2] Tetrahedron, 2011, vol. 67, # 5, p. 958 - 964 |
| | 2,5-DIMETHOXYBENZONITRILE Preparation Products And Raw materials |
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