CasNo.18699-87-1,2-Methyl-3-nitropyridine,2-Methyl-3-nitropyridine(18699-87-1) Suppliers

1 Kilogram	FOB Price: USD 1.0000

Min.Order :1 Kilogram
Purity: 98%～99%
Payment Terms : L/C|D/P|T/T|Westem Union|

Keywords

Quick Details

Appearance:Brown powder
Application:
PackAge:25kg/plastic drum,200Kg/iron drum
ProductionCapacity:100|Metric Ton/Month
Storage:sealed storage in shady and cool warehouse in 20℃
Transportation:by air

Superiority:

1. Introduction of2-Methyl-3-nitropyridine The 2-Methyl-3-nitropyridine, with its CAS NO18699-87-1, is a kind ofBrown powder. I…

Details:

1. Introduction of 2-Methyl-3-nitropyridine

The 2-Methyl-3-nitropyridine, with its CAS NO 18699-87-1, is a kind of Brown powder. It has synonyms of 3-Nitro-2-methylpyridine;3-Nitro-2-picoline;NSC 311455;2-Picoline,3-nitro- (7CI,8CI);2-Methyl-3-nitropyridine.

2. Properties of 2-Methyl-3-nitropyridine

(1) XLogP3-AA 1.1 (2) H-Bond Acceptor 3 (3) Exact Mass 138.042927
(4) MonoIsotopic Mass 138.042927 (5) Topological Polar Surface Area 58.7
(6) Heavy Atom Count 10 (7) Complexity 132 (8) Covalently-Bonded Unit Count 1
(9) Feature 3D Acceptor Count 3 (10) Feature 3D Anion Count 1
(11) Feature 3D Ring Count 1 (12) Effective Rotor Count 1
(13) Conformer Sampling RMSD 0.4 (14) CID Conformer Count 1

3. Structure descriptors of 2-Methyl-3-nitropyridine

IUPAC Name: 2-methyl-3-nitropyridine

InChI: InChI=1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3InChIKey: CCFGTKQIRWHYTB-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C=CC=N1)[N+](=O)[O-]

4. Synthesis of 2-Methyl-3-nitropyridine

The title compound has been obtained by several related ways: The reaction of 2-chloro-3-nitropyridine (I) with methylboronic acid by means of Pd(PPh3)4 and K2CO3 in hot dioxane gives 2-methyl-3-nitropyridine (III), which is condensed with dimethylformamide dimethylacetal (IV) to yield 2-[2-(dimethylamino)vinyl]-3-nitropyridine (V). The oxidation of (V) by means of NaIO4 affords 3-nitropyridine-2-carbaldehyde (VI), which is condensed with semicarbazide (VII) to provide the corresponding semicarbazone (VIII). Finally, the nitro group of (VIII) is reduced with SnCl2 or Na2S to furnish the target 3-aminopyridine-2-carbaldehyde semicarbazone. 2-Methyl-3-nitropyridine (III) can also be obtained by condensation of 2-chloro-3-nitropyridine (I) with diethyl malonate (II) by means of Na, followed by decarboxylative hydrolysis with H2SO4 at 125 C. The direct oxidation of 2-methyl-3-nitropyridine (III) with SeO2 in dioxane gives carbaldehyde (VI), which is treated with ethyleneglycol (IX) and Ts-OH to yield the cyclic acetal (X). The reduction of (X) with H2 over Pd/C in ethanol affords 3-aminopyridine-2-carbaldehyde ethylene ketal (XI), which is treated with semicarbazide (VI) and HCl to afford the target 3-aminopyridine-2-carbaldehyde semicarbazone. The condensation of 2-chloro-3-nitropyridine (I) with tributyl vinyl tin (XII) Pd(PPh3)4 and PPH3 in refluxing toluene gives 3-nitro-2-vinylpyridine (XIII), which is oxidized with O3 and M