3-(cyanomethyl)picolinonitrile
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3-(cyanomethyl)picolinonitrile
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CAS No:
5912-34-5
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Formula:
C8H5N3
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Chemical Name:
3-(cyanomethyl)picolinonitrile
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Synonyms:
3-(cyanomethyl)picolinonitrile;3-(Cyanomethyl);3-Pyridineacetonitrile, 2-cyano-
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-(cyanomethyl)picolinonitrile Use and Manufacturing
To a suspension of (1-oxy-pyridin-3-yl)-acetonitrile (10 g, 75 mmol) in anhydrous CH2Cl2 under a nitrogen atmosphere was added trimethylsilylcyanide (10.95 mL, 82 mmol) and dimethylcarbamoylchloride (7.55 mL, 82 mmol). The reaction mixture was stirred at room temperature for 72 hours and then concentrated. EtOAc (100 mL) was added to the residue and the organic phase was washed with 1 M NaOH (150 mL), dried over Na2SO4, filtered and concentrated. The resulting solid was purified by column chromatography (50percent EtOAc/hexanes) affording 7.08 g (66percent) of a yellow solid: mp 48-51 °C; MS (+) APCI m/z 144 [M+H]+. Ref: WO 9818796(2) 3-(cyanomethyl)picolinonitrile.; To a 100 mL round-bottomed flask was added 3-(bromomethyl)picolinonitrile (1.56 g, 7917 μmol), potassium cyanide (509 μL, 11876 μmol), MeOH (50 mL). The reaction mixture was stirred at room temperature for 6 h. the solvent was removed in vacuo and the residue was dissolved in EtOAc (50 mL), washed with water (10 mL), saturated NaCl (10 mL), dried over Na
Computed Properties
Molecular Weight:143.15
XLogP3:0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:143.048347172
Monoisotopic Mass:143.048347172
Topological Polar Surface Area:60.5
Heavy Atom Count:11
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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