2-Chloro-3-cyano-4,6-dimethylpyridine
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2-Chloro-3-cyano-4,6-dimethylpyridine
structure -
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CAS No:
14237-71-9
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Formula:
C8H7ClN2
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Chemical Name:
2-Chloro-3-cyano-4,6-dimethylpyridine
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Synonyms:
2-CHLORO-3-CYANO-4,6-DIMETHYLPYRIDINE;2-CHLORO-4,6-DIMETHYLNICOTINONITRILE;AKOS BC-3128;AKOS BBS-00002510;BUTTPARK 59\40-61;IFLAB-BB F1371-0162;2-CHLORO-4,6-DIMETHYL-3-PYRIDINECARBONITRILE;2-chloro-4,6-dimethylpyridine-3-carbonitrile
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CAS No:
2-Chloro-3-cyano-4,6-dimethylpyridine Basic Attributes
166.61
166.029770
131348
10732
DTXSID50278939
29333990
Characteristics
36.7
2.3
WHITE TO TAN SOLID, POWDER, CRYSTALS AND/OR CHUNKS
1.22±0.1 g/cm3(Predicted)
98-99°C
305.3±37.0 °C(Predicted)
138.5±26.5 °C
1.547
0.000827mmHg at 25°C
Safety Information
III
6.1
3276
3
36/37/38-41-37/38-25
26-36/37/39-45
Xi,T
Irritant
P261-P280-P301 + P310-P305 + P351 + P338
H301-H315-H318-H335
|Danger|H301 (86.67%): 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, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-3-cyano-4,6-dimethylpyridine Use and Manufacturing
Step 1: 2-Chloro-3-cyano-4, 6-dimethylpyridine: A stirred mixture of 3-cyano-4, 6-dimethyl- 2-hydroxypyridine (4.35 g, 29.39 mmol) and phosphorous pentachloride (6.92 g, 33.21 mmol) is heated to 120°C. The reaction mixture becomes clear and is stirred for an additional 1 hr. It is then poured onto ice/water (250 mL) and allowed to stand for 30 min. The solution is neutralized with sodium bicarbonate (pH 6) and extracted with dichloromethane (400 mL). The separated organic layer is dried, filtered and concentrated to yield 2-chloro-3-cyano-4, 6- dimethylpyridine (4.60 g, 94percent yield) as a tan solid containing ca 15percent impurity. LC/MS: MS m/e = 167/169 (M + H) ; RT 2.98 min; NMR (CDCl3, 8 ppm) 7.08 (1H, s), 2.57 (3H, s), 2.55 (3H, s).2-Chloro-4, 6-dimethylnicotinonitrile4, 6-Dimethyl-2-oxo-l, 2-dihydropyridine-3-carbonitrile (5g, 34mmol) was added to phosphorus oxychloride (20ml). The reaction was stirred at reflux for 2 h, after which it was seen complete. Volatiles were removed and the residue triturated with petrol.The resultant solid was filtered off and washed with hexane, and dried to give a pure white solid (5.1g, 90percent). δ4, 6-Dimethyl-2-oxo-l, 2-dihydropyridine-3-carbonitrile
Computed Properties
Molecular Weight:166.61
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Exact Mass:166.0297759
Monoisotopic Mass:166.0297759
Topological Polar Surface Area:36.7
Heavy Atom Count:11
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 14237-71-9Grade: Pharmaceutical GradeContent: 99%
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2-Chloro-3-cyano-4,6-dimethylpyridine
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