2-BROMO-6-(BROMOMETHYL)PYRIDINE
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2-BROMO-6-(BROMOMETHYL)PYRIDINE
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CAS No:
83004-10-8
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Formula:
C6H5Br2N
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Chemical Name:
2-BROMO-6-(BROMOMETHYL)PYRIDINE
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Synonyms:
2-Bromo-6-(bromomethyl)pyridine;Pyridine, 2-bromo-6-(bromomethyl)-;2-bromo-6-bromomethyl-pyridine;6-Bromo-2-bromomethylpyridine;2-Bromo-6-bromomethylpyridine;SCHEMBL506617;2-Bromo-6-bromomethyl-pyridin;6-bromo-2-(bromomethyl)pyridine;CTK5F0267;DTXSID50513837
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CAS No:
2-BROMO-6-(BROMOMETHYL)PYRIDINE Use and Manufacturing
Add 2-bromo-6- (bromomethyl) pyridine (5.0 g, 19.9 mmol) and triethyl phosphite (6.0 mL, 35.0 mmol) to a 100 mL single-neck round bottom flask, and react at 140 C for 12 hours; reaction After completion, the mixture was spin-dried under reduced pressure, and purified by column chromatography (petroleum ether / ethyl acetate (v / v) = 5/1) to obtain the title compound as a pale yellow oil (4.91 g, 80.0%).A solution of cyanoacetone sodium salt (CAS: 70807-22-6; 1.53 g; 14.6 mmol) in 8 mL of N, N-dimethylformamide and 240 muL of water is cooled to 0C and 2-bromo-6- (bromomethyl)pyridine (2.44 g; 9.72 mmol) in 8 mL of N, N-dimethylformamide is added dropwise and the reaction is stirred at room temperature overnight. The reaction is concentrated under reduced pressure to provide a crude product, which is used directly in the next step. (0568) Yield: 0.89 g (36 % of theory) (0569) Mass spectrometry (ESI+): m/z = 253/255 [M+H]+ (Br) (0570) HPLC (Method 3): Retention time = 0.87 min
Computed Properties
Molecular Weight:250.92
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:250.87682
Monoisotopic Mass:248.87887
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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