Identification | Back Directory | [Name]
6-bromo-1-methyl-1H-indazol-3-amine | [CAS]
1214899-85-0 | [Synonyms]
6-bromo-1-methylindazol-3-amine 6-bromo-1-methyl-1H-indazol-3-amine 3-Amino-6-bromo-1-methyl-1H-indazole 1H-Indazol-3-amine, 6-bromo-1-methyl- Piperidine,1-(3-chloropropyl)-,hydrochloride(1:5) | [Molecular Formula]
C8H8BrN3 | [MDL Number]
MFCD11847108 | [MOL File]
1214899-85-0.mol | [Molecular Weight]
226.07 |
Chemical Properties | Back Directory | [Boiling point ]
378.4±22.0 °C(Predicted) | [density ]
1.76±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
3.12±0.50(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C8H8BrN3/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11) | [InChIKey]
SJCNMXPRXAGVMK-UHFFFAOYSA-N | [SMILES]
N1(C)C2=C(C=CC(Br)=C2)C(N)=N1 |
Hazard Information | Back Directory | [Synthesis]
Intermediate 3. Synthesis of 6-bromo-1-methyl-1H-indazol-3-amine: 6-bromo-1H-indazol-3-amine (788 mg, 3.71 mmol) was dissolved in dimethylformamide (3 mL) and cooled to 0 °C. Sodium hydride (60% oil dispersion; 163 mg, 6.79 mmol) was added in batches under stirring. The reaction mixture was continued to be stirred at 0 °C for 30 min. Subsequently, iodomethane (225 μL, 4.09 mmol) was added dropwise to the mixture and the reaction was stirred for 2 h at room temperature. Upon completion of the reaction, water was added to the crude reaction mixture and a red solid was precipitated. The solid was collected by filtration and dried to afford the title compound in 80% yield. The product was analyzed by LRMS showing m/z: 226 (M)+, 228 (M + 2)+. 1H NMR (300 MHz, DMSO-d6) δ ppm: 3.75 (s, 3H); 5.7 (s, 2H); 7.01 (d, 1H); 7.59 (d, 1H); 7.6 (s, 1H). | [References]
[1] Patent: WO2016/150971, 2016, A1. Location in patent: Page/Page column 23 |
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