| Identification | Back Directory | [Name]
5-iodo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine | [CAS]
862729-13-3 | [Synonyms]
5-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
5-iodo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, 5-iodo-7-Methyl-
5-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine | [Molecular Formula]
C7H7IN4 | [MDL Number]
MFCD21603870 | [MOL File]
862729-13-3.mol | [Molecular Weight]
274.06 |
| Chemical Properties | Back Directory | [Boiling point ]
436.3±40.0 °C(Predicted) | [density ]
2.24±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [pka]
5.07±0.30(Predicted) | [Appearance]
Light brown to gray Solid | [InChI]
InChI=1S/C7H7IN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11) | [InChIKey]
VNFSLRASQZPDFQ-UHFFFAOYSA-N | [SMILES]
C1=NC(N)=C2C(I)=CN(C)C2=N1 |
| Hazard Information | Back Directory | [Synthesis]
GENERAL STEPS: To a solution of 750 mg (2.88 mmol) of 5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine dissolved in 20 mL of anhydrous N,N-dimethylformamide (DMF), 190 μL (3.02 mmol) of iodomethane and 795 mg (5.76 mmol) of anhydrous potassium carbonate were added. The reaction mixture was stirred for 8 h at room temperature. After completion of the reaction, the solvent was removed by rotary evaporator. The residue was dissolved in dichloromethane (DCM) and washed with deionized water. The organic layer was dried with anhydrous sodium sulfate, filtered and the solvent was again removed by rotary evaporator to give 394 mg (50% yield) of the target compound 5-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine. High resolution mass spectrometry (HRMS, electrospray ionization ESI) analysis resulted in the calculated value of C7H7N4I [M + H]+ 274.9788 and the measured value of 274.9788, which is in agreement with expectations. | [References]
[1] Patent: WO2014/184069, 2014, A1. Location in patent: Page/Page column 34; 35 |
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