5-AMINO-3-PYRIDINECARBONITRILE
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5-AMINO-3-PYRIDINECARBONITRILE
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CAS No:
13600-47-0
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Formula:
C6H5N3
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Chemical Name:
5-AMINO-3-PYRIDINECARBONITRILE
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Synonyms:
5-AMino-3-cyanopyridine;5-aMinopyridin-3-carbonitrile;5-AMino-3-pyridincarbonitrile;3-cyano-5-aminopyridine;5-AMINO-3-PYRIDINECARBONITRILE;5-Aminonicotinonitrile;5-aminopyridine-3-carbonitrile;5-Aminopyridine-3-carbonitrile ,97%
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CAS No:
Characteristics
62.7
-0.1
1.23±0.1 g/cm3 (20 ºC 760 Torr)
118-123℃
349.3±22.0 °C(Predicted)
165.0±22.3 °C
1.595
4.76E-05mmHg at 25°C
5-AMINO-3-PYRIDINECARBONITRILE Use and Manufacturing
4-(6-Chloro-3-pyridyl)-N, N-dimethyl-benzamide (120 mg, 0.46 mmol), 5- aminopyridine-3-carbonitrile (55 mg, 0.46 mmol), CS2CO3 (375 mg, 1.15 mmol), Pd(OAc)2 (10 mg, 0.05 mmol) and Xphos (44 mg, 0.09 mmol) were dissolved in DMF (3 mL) and the mixture was stirred at l20C for 1 h. When cooled to rt the mixture was filtered and the filtrate purified by preparative HPLC to give the product as a solid (25 mg, 16%). NMR (500 MHz, DMSO-rie) d ppm 2.98 (br s, 3 H) 3.01 (s, 3 H) 7.04 (d, 1H) 7.51 (d, 2 H) 7.76 (d, 2 H) 8.07 (dd, 1H) 8.52 (s, 1H) 8.64 - 8.74 (m, 1H) 8.87 (s, 1H) 8.97 (d, 1H) 9.91 (s, 1H). MS ES+ m/z 344 [M+H]+.To a solution of 2 (1.20 g, 1.60 mmol), CuI (30 mg, 0.16 mmol), (PPh3)2PdCl2 (56 mg, 0.080 mmol) and triethylamine (0.33 mL, 2.40 mmol) in acetonitrile (15 mL) was added [0219] A solution of POCl3 (22.9 mg, 0.149 mmol) was added dropwise to a solution consisting of 1-(naphthalen-1-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 48b (200 mg, 0.653 mmol), Intermediate 638F (8.6 mg, 0.023 mmol), To a solution of
Computed Properties
Molecular Weight:119.12
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:119.048347172
Monoisotopic Mass:119.048347172
Topological Polar Surface Area:62.7
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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