2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine
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2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine
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CAS No:
1073062-59-5
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Formula:
C21H13Br2N3
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Chemical Name:
2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine
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Synonyms:
2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;1,3,5-Triazine, 2-(3,5-dibromophenyl)-4,6-diphenyl;SCHEMBL2302366;BCP19946;AKOS026671287;ZINC118591567;OL10226;AK192572;DA-28512;DS-10055
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CAS No:
Safety Information
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine Use and Manufacturing
Compound 2-1 (0.2 g, 0.59 mmol), benzamidine hydrochloride (0.2 g, 1.3 mmol) and NaOH (0.05 g, 1.3 mmol) were added to ethanol (2 ml) and refluxed for 12 hours. Washed with water and ethanol to obtain Compound 2-2 (0.2 g, 80percent).In 500mL three-neck flask, was added 4, 6-diphenyl-triazin-2-boronic acid pinacol ester (17.3g, 0.05mol), 3, 5- dibromo iodobenzene (20.0g, 0.055mol), palladium acetate (0.22g, 0.001mol), 4, 5- bis diphenylphosphino 9, 9-dimethyl xanthene (0.58g, 0.001mol), potassium carbonate (16.5g, 0.12mol), toluene (160 mL of) , deionized water (50 mL), under nitrogen, warmed to reflux, the reaction incubated 12h, reduced to 25 , liquid separation, 150 mL toluene and the organic phase was extracted once, and the combined organic phase was stripped of solvent, the resulting crude product through silica gel column chromatography purification by volume eluent petroleum ether: ethyl acetate = 2: 1, to give 2, 4-diphenyl-6- (3, 5-dibromophenyl) triazine 14.7g, 63percent yield
Computed Properties
Molecular Weight:467.2
XLogP3:6.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:466.94557
Monoisotopic Mass:464.94762
Topological Polar Surface Area:38.7
Heavy Atom Count:26
Complexity:401
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine
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