| Identification | Back Directory | [Name]
6-BROMO-1-METHYL-1H-INDAZOLE | [CAS]
590417-94-0 | [Synonyms]
6-Bromo-1-methylindazole
1-Methyl-6-bromoindazole
6-Bromo-1-methyl-1H-idazole
6-BROMO-1-METHYL-1H-INDAZOLE
1H-Indazole, 6-broMo-1-Methyl-
6-bromo-1-methyl-3a,7a-dihydro-1H-indazole | [EINECS(EC#)]
692-962-9 | [Molecular Formula]
C8H7BrN2 | [MDL Number]
MFCD09878569 | [MOL File]
590417-94-0.mol | [Molecular Weight]
211.06 |
| Chemical Properties | Back Directory | [Boiling point ]
293.6±13.0 °C(Predicted) | [density ]
1.60±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [pka]
0.66±0.30(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3 | [InChIKey]
SVVSOIGNROPKMS-UHFFFAOYSA-N | [SMILES]
N1(C)C2=C(C=CC(Br)=C2)C=N1 |
| Hazard Information | Back Directory | [Synthesis]
6-Bromo-1H-indazole (400 mg) was dissolved in methanol (10 mL). Potassium hydroxide (450 mg) and iodomethane (0.50 mL) were added sequentially to this solution and the reaction mixture was heated to reflux for 2.5 hours. After completion of the reaction, it was cooled to room temperature, diluted with ether, washed sequentially with water and saturated saline, and the organic phase was dried over anhydrous sodium sulfate and concentrated. The target product 6-bromo-1-methylindazole (160 mg) and its isomers were isolated by Combiflash fast column chromatography. | [References]
[1] Patent: EP1622569, 2015, B1. Location in patent: Paragraph 0411
[2] European Journal of Medicinal Chemistry, 2019, vol. 161, p. 533 - 542 |
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