5-BROMO-6-METHOXY (1H)INDAZOLE
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5-BROMO-6-METHOXY (1H)INDAZOLE
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CAS No:
152626-78-3
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Formula:
C8H7BrN2O
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Chemical Name:
5-BROMO-6-METHOXY (1H)INDAZOLE
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Synonyms:
5-Bromo-6-methoxy-1H-indazole;1H-Indazole,5-bromo-6-methoxy-;MFCD11007880;PubChem16370;ACMC-1C22G;SCHEMBL1542113;CTK4C7508;DTXSID30570923;5-bromanyl-6-methoxy-1H-indazole;BCP27557
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CAS No:
5-BROMO-6-METHOXY (1H)INDAZOLE Use and Manufacturing
Step 25-bromo-6-methoxy-1H-indazole (Compound A33)Compound (9 g, 38.6 mmol), o-hydroxylamine hydrochloride (3.23 g, 38.6 mmol), and potassium carbonate (5.87 g, 42.5 mmol) were dissolved in 1, 2-dimethoxyethane (90 mL), and the mixture was stirred at 100°C for 1 hour. After cooling to room temperature, the solid substance was filtered off, and the filtrate was evaporated off under reduced pressure. Dimethyl acetamide (90 mL) and hydrazine monohydrate (18 mL) were added thereto, and the mixture was stirred at 150°C overnight. After cooling to room temperature, water was added to the reaction mixture, and the aqueous layer was extracted with ethyl acetate. The organic layer was washed with water and a saturated aqueous solution of sodium chloride, dried over anhydrous magnesium sulfate, and then the solvent was evaporated off under reduced pressure to give Compound A33 (8.26 g, yield: 94percent) as a yellow paste. ESI-MS m/z: 227, 229 [M+H]
Computed Properties
Molecular Weight:227.06
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:225.97418
Monoisotopic Mass:225.97418
Topological Polar Surface Area:37.9
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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