| Identification | Back Directory | [Name]
5-BROMO-2-METHYL-1H-BENZIMIDAZOLE | [CAS]
1964-77-8 | [Synonyms]
5-bromo-2-methybenzimidazole
2-Methy-5-bromobenzimidazole
5-BROMO-2-METHYLBENZIMIDAZOLE
5-Bromo-2-methylbenzoimidazole
5-BROMO-2-METHYL-1H-BENZIMIDAZOLE
5-Bromo-2-methyl-1H-benzoimidazole
1H-BenziMidazole, 6-broMo-2-Methyl-
5-broMo-2-Methyl-1H-1,3-benzodiazole
5-BROMO-2-METHYL-1H-BENZ(D)IMIDAZOLE
5-BROMO-2-METHYL-1H-BENZO[D]IMIDAZOLE | [Molecular Formula]
C8H7BrN2 | [MDL Number]
MFCD00457521 | [MOL File]
1964-77-8.mol | [Molecular Weight]
211.06 |
| Chemical Properties | Back Directory | [Melting point ]
214-215 °C | [Boiling point ]
397.3±15.0 °C(Predicted) | [density ]
1.654±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
10.50±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11) | [InChIKey]
FHDFUQGJYYGLHJ-UHFFFAOYSA-N | [SMILES]
C1(C)NC2=CC(Br)=CC=C2N=1 |
| Hazard Information | Back Directory | [Synthesis]
GENERAL METHOD: A mixture of 4-bromophthalimide (1.0 mmol), triethyl orthoacetate (1.2 mmol) and ZrCl4 (0.1 mmol) in 10 mL of methanol was stirred at room temperature for 3 hours. Upon completion of the reaction, the progress was monitored by TLC and the solvent was removed by concentration under reduced pressure. The crude product was purified by silica gel column chromatography with an eluent ratio of petroleum ether/ethyl acetate (4:1 to 1:1, v/v) to afford the target compound 5-bromo-2-methyl-1H-benzo[D]imidazole. | [References]
[1] European Journal of Medicinal Chemistry, 2015, vol. 90, p. 241 - 250 |
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