Pyridine, 5-(chloromethyl)-2-methyl-, hydrochloride (1:1)
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Pyridine, 5-(chloromethyl)-2-methyl-, hydrochloride (1:1)
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CAS No:
106651-81-4
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Formula:
C7H8ClN.ClH
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Chemical Name:
Pyridine, 5-(chloromethyl)-2-methyl-, hydrochloride (1:1)
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Synonyms:
Pyridine,5-(chloromethyl)-2-methyl-,hydrochloride (1:1);Pyridine,5-(chloromethyl)-2-methyl-,hydrochloride;5-Chloromethyl-2-methylpyridine hydrochloride;3-Chloromethyl-6-methylpyridine hydrochloride
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CAS No:
Pyridine, 5-(chloromethyl)-2-methyl-, hydrochloride (1:1) Basic Attributes
178.06
177.011200
DTXSID40480766
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Pyridine, 5-(chloromethyl)-2-methyl-, hydrochloride (1:1) Use and Manufacturing
A solution of this alcohol compound (52.2 g, 424 mmol) in 190 ml toluene and 60 ml CHClStep B: Preparation of 5-(chloromethyl)-2-methylpyridine hydrochloride: (6-Methylpyridin-3-yl)methanol (8.54 g, 69.34 mmol) was dissolved in toluene (0.5M, 125 mL). Thionyl chloride (10.12 mL, 138.7 mmol) was added dropwise, during which a white solid began to precipitate out of solution. The mixture was heated to 65 °C and stirred for 1 hour. The mixture was concentrated, shaken in ether and collected by filtration to provide 5- (chloromethyl)-2-methylpyridine hydrochloride (11.3 g, 92percent yield) as a beige solid.A) 5- (chloromethyl) -2-methylpyridine hydrochloride To a solution of ( 6-methylpyridin-3-yl ) methanol . (1.24 g) in THF (12.4 mL) was added thionyl chloride (1.10 mL) under ice-cooling, and the mixture was stirred overnight at room temperature. The reaction mixture was concentrated under reduced pressure, and the obtained residue was suspended in ethyl acetate. The precipitate was collected by filtration, and washed with ethyl acetate-hexane to give, the title compound (1.64 g) . NMR (300 MHz, DMSO-d
Computed Properties
Molecular Weight:178.06
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:177.0112047
Monoisotopic Mass:177.0112047
Topological Polar Surface Area:12.9
Heavy Atom Count:10
Complexity:85
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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