ChemicalBook--->CAS DataBase List--->845751-59-9

845751-59-9

845751-59-9 Structure

845751-59-9 Structure
IdentificationBack Directory
[Name]

7-BroMo-2H-indazole
[CAS]

845751-59-9
[Synonyms]

7-BroMo-2H-indazole
2H-Indazole, 7-bromo-
[Molecular Formula]

C7H5BrN2
[MOL File]

845751-59-9.mol
[Molecular Weight]

197.03
Chemical PropertiesBack Directory
[Boiling point ]

177.3±23.0 °C(Predicted)
[density ]

1.770±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

12.82±0.30(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

7-BroMo-2H-indazole(845751-59-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Diazene, 1-(2-bromo-6-methylphenyl)-2-[(1,1-dimethylethyl)thio]-

845751-60-2

7-BroMo-2H-indazole

845751-59-9

The general procedure for the synthesis of 7-bromo-2H-indazole from the compound (CAS: 845751-60-2) was as follows: (2-bromo-6-methylphenylazo)-tert-butyl sulfide (2b; 880 mg, 3.06 mmol) was dissolved in 10 mL of anhydrous DMSO, and the solution was subsequently added slowly and dropwise to a solution containing potassium tert-butoxide (3.44 g, 30.6 mmol ) in anhydrous DMSO solution and the reaction was carried out under argon protection. The reaction mixture was stirred for 2 h at room temperature and then poured into a mixed solution consisting of 150 g of ice and 150 mL of 2N HCl. The mixture was extracted using ether (2 x 150 mL). The ether extracts were combined, washed with saturated saline and dried with anhydrous magnesium sulfate. Finally, the solvent was removed by evaporation to give 581 mg (96% yield) of the target product 7-bromo-2H-indazole as a beige solid.

[References]

[1] Patent: US2004/110815, 2004, A1. Location in patent: Page/Page column 19
[2] Patent: WO2005/16892, 2005, A1. Location in patent: Page/Page column 69
[3] Journal of Medicinal Chemistry, 2012, vol. 55, # 21, p. 9089 - 9106,18
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