4-Bromo-2-pyridinecarbonitrile
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4-Bromo-2-pyridinecarbonitrile
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CAS No:
62150-45-2
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Formula:
C6H3BrN2
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Chemical Name:
4-Bromo-2-pyridinecarbonitrile
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Synonyms:
2-Pyridinecarbonitrile,4-bromo-;4-Bromo-2-pyridinecarbonitrile;4-Bromopicolinonitrile;4-Bromo-2-cyanopyridine
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CAS No:
Safety Information
Ⅲ
6.1
3439
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (22.22%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-pyridinecarbonitrile Use and Manufacturing
A solution of tert-butyl 2-(5-(4, 4, 5, 5-tetramethyl-i, 3, 2-dioxaborolan-2-yl)-2, 3-dihydro- iH-inden-4-yl)acetate (3.74 g, 10.4 mmol, 1 eq) and to a 40 mL flask was placed General procedure: 5-Bromo-2-tert-butylpyridine (500 mg; 2.34 mmol) is dissolved in 5 ml_ of dioxane. Copper iodide (89 mg, 0.47 mmol) is added and the mixture is placed under argon atmosphere. Sodium iodide is added and the mixture is stirred for a few minutes under argon atmosphere. N, N?-dimethylethylenediamine (100 mI_, 0.93 mmol) is added and the mixture is stirred at 130C over night. The mixture is allowed to cool to room temperature before being diluted with ethyl acetate and extracted with saturated aqueous solution of sodium bicarbonate twice. The organic layer is dried over magnesium sulfate, filtered and concentrated.Yield: 610 mg (95 % of theory)Mass spectrometry (ESI+): m/z = 262 [M+H]+HPLC (Method 3): Retention time = 1.176 min.
A useful synthetic intermediate
Computed Properties
Molecular Weight:183.01
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Exact Mass:181.94796
Monoisotopic Mass:181.94796
Topological Polar Surface Area:36.7
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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