2-Fluoro-3-methylpyridine
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2-Fluoro-3-methylpyridine
structure -
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CAS No:
2369-18-8
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Formula:
C6H6FN
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Chemical Name:
2-Fluoro-3-methylpyridine
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Synonyms:
Pyridine,2-fluoro-3-methyl-;3-Picoline,2-fluoro-;2-Fluoro-3-methylpyridine;NSC 51591;2-Fluoro-3-picoline
- Categories:
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CAS No:
Characteristics
12.9
1.7
Colorless Liquid
1.1±0.1 g/cm3
150.5-151 °C @ Press: 757 Torr
48.2±21.8 °C
1.477
Flammables area
0.174mmHg at 25°C
Safety Information
Ⅲ
1993
3
3
S26-S36-S36/37/39-S16-S16 26 36/37/39
Xn:Harmful
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (89.58%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Fluoro-3-methylpyridine Use and Manufacturing
NX-43 The synthesis of 2, 2'-(5-phenoxy-1, 3-phenylene)bis(oxy)bis(3-methylpyridine) (NX-43) was a two-step process as detailed below. Potassium Carbonate was added to a solution of 5-bromobenzene-1, 3-diol and Methyl 3-hydroxy-2, 2-dimethylpropanoate (2.97 g, 22.5 mmol) was dissolved in DMF (20 mL) to give a colorless solution. Sodium hydride (60 wt percent, 1.12 g, 28.1 mmol) was added. After stirring for 30 minutes at room temperature, To a solution of ethyl 2, 2-difluoro-3-hydroxypropanoate (0.458 g, 2.97 mmol) in DMF (8 mL) was added sodium hydride (60 wt percent, 0.097 g, 4.0 mmol). After stirring for 1 hour at room temperature, Sodium hydride (60 wt percent, 0.067 g, 1.7 mmol) was added to a solution of 2-fluoro- 3-methylpyridine (0.124 g, 1.11 mmol) and 1 -(hydroxy methyl )-A-( 1 -methylpiperidin-4- y l)cy clopropane- 1 -carboxamide (0.118 g, 0.145 mmol) in DMF (2.78 mL). The reaction mixture was stirred at room temperature for 1 hour and then diluted with methanol, filtered through a hydrophilic PTFE 0.45 pm filter (Millipore® Millex-LCR), and purified by preparative HPLC (Method B) to give the title compound as a clear oil (0.044 g, 26percent). 'H NMR (500 MHz, CD3OD) d 0.84 - 0.97 (m, 2 H), 1.15 - 1.28 (m, 2 H), 1.45 - 1.63 (m, 2 H), 1.78 - 1.90 (m, 2 H), 2.06 - 2.14 (m, 2 H), 2.20 (s, 3 H), 2.25 (s, 3 H), 2.81 (d, J= 11.7 Hz, 2 H), 3.72 (tt, J= 11.0, 4.4 Hz, 1 H), 4.50 (s, 2 H), 6.88 (dd, J= 7.3, 4.9 Hz, 1 H), 7.47 - 7.55 (m, 1 H), 7.93 - 7.99 (m, 1 H); ESI-MS [M+H]+ calc'd for Ci7H25N302, 304.20; found, 304.20.
Computed Properties
Molecular Weight:111.12
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Exact Mass:111.048427358
Monoisotopic Mass:111.048427358
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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