2,9-dibromo-1,10-phenanthroline
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2,9-dibromo-1,10-phenanthroline
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CAS No:
39069-02-8
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Formula:
C12H6Br2N2
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Chemical Name:
2,9-dibromo-1,10-phenanthroline
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Synonyms:
2,9-dibromo-1,10-phenanthroline;1,10-Phenanthroline, 2,9-dibroMo-;2,9-dibroMo-1,1phenanthroline;2,9-dibromo-1,10-phenthroline
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CAS No:
2,9-dibromo-1,10-phenanthroline Basic Attributes
337.99744
335.889771
1312995-182-4
DTXSID00572878
2933990090
2,9-dibromo-1,10-phenanthroline Use and Manufacturing
According to the method described below, 2, 9-dibromo-1, 10-phenanthroline (f23) was synthesized. Under argon atmosphere, 2.0 mL of phosphorus tribromide was added to 2, 9-dichloro-1, 10-phenanthroline (70.0 mg, 0.281 mmol), and the mixture was stirred at 165°C for seven hours. The reaction solution was cooled with ice, and the aqueous solution of sodium hydrogen carbonate was added thereto little by little until the reaction solution became weakly basic. The resulting mixture was filtrated and the filtrated matter was washed lightly with methanol. The filtrated matter was extracted with chloroformpotassium carbonate aqueous solution, and the organic phase was dried over anhydrous sodium sulfate, filtrated, and concentrated to provide 76.6 mg (81.1percent yield) of the colorless solid (f23). The NMR data and the DART-MS data of f23 are provided below. Reference Example 102, 9-Dibromo-1, 10-phenanthroline (10) [0141] [Chem. 27] [0142] Under a stream of argon, to compound (9) (8.4 g; 29.1 mmol), phosphorus oxybromide (3.25 g; 174 mmol) and phosphorus pentachloride (15.4 g; 35.8 mmol) were added in an ice bath. The reaction temperature was raised to 65 to 75Production Example 102, 9-Dibromo-1, 10-phenanthroline (10)[0177] [Chem. 33] [0178] Under a stream of argon, to compound (9) (8.4 g; 29.1 mmol), phosphorus oxybromide (3.25 g; 174 mmol) and phosphorus pentachloride (15.4 g; 35.8 mmol) were added in an ice bath. The reaction temperature was raised to 65 to 75Example 48
Computed Properties
Molecular Weight:338.00
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Exact Mass:337.88772
Monoisotopic Mass:335.88977
Topological Polar Surface Area:25.8
Heavy Atom Count:16
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes