2-Iodo-6-methyl-3-pyridinol
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2-Iodo-6-methyl-3-pyridinol
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CAS No:
23003-30-7
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Formula:
C6H6INO
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Chemical Name:
2-Iodo-6-methyl-3-pyridinol
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Synonyms:
3-Pyridinol,2-iodo-6-methyl-;2-Iodo-6-methyl-3-pyridinol;2-Iodo-3-hydroxy-6-methylpyridine;2-Iodo-6-methylpyridine-3-ol;3-Hydroxy-2-iodo-6-methylpyridine;6-Iodo-2-picolin-5-ol;2-Methyl-6-iodo-5-hydroxypyridine;6-Iodo-2-methylpyridin-5-ol
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CAS No:
Characteristics
33.1
1.6
Light yellow to yellow powder
2.0±0.1 g/cm3
197-199 °C(lit.)
292ºC at 760mmHg
130.4±25.9 °C
1.657
0.00108mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39-24/25
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Iodo-6-methyl-3-pyridinol Use and Manufacturing
Step A: Sodium carbonate (68.0 g) and water (810 mL) were added to 5-hydroxy-2-methylpyridine (1-014-01) (36.11 g), and the reaction mixture was stirred at room temperature, dissolved. To the reaction mixture was added dropwise a solution of iodine (117 g) and potassium iodide (117 g) in water (810 mL) for 35 min. The resulting pink-yellow crystal was filtered and dried under reduced pressure to give 2-iodo-3-hydroxy-6-methylpyridine (2-014-01) (34.1 g, 43.9percent, m.p. 187-190 °C)1H-NMR (300MHz, CDCl3+CD3OD): δ 2.45 (s, 3H), 6.45 (d, J = 6.9 Hz, 1H), 7.02 (dd, J = 6.6, 1.5 Hz, 1H)Sodium carbonate (68.0 g) and water (810 mL) were added to 5-hydroxy-2-methylpyridine (1-014-01) (36.11 g), and the reaction mixture was stirred at room temperature, dissolved. To the reaction mixture was added dropwise a solution of iodine (117 g) and potassium iodide (117 g) in water (810 mL) for 35 min. The resulting pink-yellow crystal was filtered and dried under reduced pressure to give 2-iodo-3-hydroxy-6-methylpyridine (2-014-01) (34.1 g, 43.9percent, m.p. 187-190 DEG C)<1>H-NMR (300MHz, CDCl3+CD3OD): delta 2.45 (s, 3H), 6.45 (d, J= 6.9 Hz, 1H), 7.02 (dd, J= 6.6, 1.5 Hz, 1H)To tetrahydrofuran / water (50 / 50mL) was added a mixed solution of pyridine-5 (6.458g, 60mmol), stirMix was added to the reaction flask followed by dissolution of iodine (16.8g, 66mmol), sodium bicarbonate (5.281g, 66mmol), at room temperature for 3 days, the reaction solution was dark purple solid separated, was added 10percent sodium thiosulfate solution purple to disappear, there are a lot of white solid precipitated was suction-white solid 8.19g, was verified by NMRThe product 6.Intermediate 5.1: 5-Methvl-2-trimethvlsilanyl-furo[3.2-blpvridine (Scheme 11); To a degased solution of
Computed Properties
Molecular Weight:235.02
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:234.94941
Monoisotopic Mass:234.94941
Topological Polar Surface Area:33.1
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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