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| | 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine Basic information |
| | 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine Chemical Properties |
| Melting point | 207-208 °C | | Boiling point | 290.5±50.0 °C(Predicted) | | density | 1.51±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 11.49±0.20(Predicted) | | form | solid | | Appearance | White to off-white Solid | | InChI | 1S/C7H6ClN3/c1-4-10-6(8)5-2-3-9-7(5)11-4/h2-3H,1H3,(H,9,10,11) | | InChIKey | HCFJHJBEGJJOMO-UHFFFAOYSA-N | | SMILES | Cc1nc(Cl)c2cc[nH]c2n1 |
| Risk Statements | 36 | | Safety Statements | 26 | | RIDADR | 2811 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 2933998090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2 |
| | 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 4-chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine using 2-methyl-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one as starting material: 90 mg (0.60 mmol) of hydroxypyrrolo[pyrimidin-4(7H)-one was suspended in 2 mL of phosphorochloridic acid chloride, and the reaction was heated and refluxed for 2 hours. Upon completion of the reaction, excess phosphorus trichloride was removed by distillation under reduced pressure. The residue was carefully quenched with an ice water bath and subsequently extracted with ethyl acetate. The organic phases were combined, washed with saturated brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure to remove the solvent. The crude product was purified by silica gel fast column chromatography (eluent: 10% methanol/dichloromethane) to afford the target compound 4-chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine as a colorless solid (86 mg, 85% yield). Mass spectrometry result: (M + H)+ m/z = 168. | | References | [1] Patent: WO2009/9740, 2009, A1. Location in patent: Page/Page column 71; 72
[2] Patent: WO2016/91774, 2016, A1. Location in patent: Page/Page column 36 |
| | 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine Preparation Products And Raw materials |
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