3-Bromo-2-methyl-5-nitropyridine

Base Information

• Chemical Name: 3-Bromo-2-methyl-5-nitropyridine
• CAS No.: 186593-42-0
• Molecular Formula: C6H5BrN2O2
• Molecular Weight: 217.022
• Hs Code.: 2933399090
• European Community (EC) Number: 890-935-8
• DSSTox Substance ID: DTXSID30594048
• Wikidata: Q72447494
• Mol file: 186593-42-0.mol

Synonyms:3-Bromo-2-methyl-5-nitropyridine;186593-42-0;3-Bromo-2-methyl-5-nitro-pyridine;MFCD08688606;PYRIDINE, 3-BROMO-2-METHYL-5-NITRO-;SCHEMBL1230582;DTXSID30594048;QWAOQTGMEGSRLN-UHFFFAOYSA-N;3-nitro-5-bromo-6-methylpyridine;Pyridine,3-bromo-2-methyl-5-nitro-;AKOS015909402;CS-W019914;PB27936;AS-18181;SY024699;DB-082150;AM20050908;EN300-97227;A846461;W-206355;3-Bromo-5-Nitro-2-Picoline;2-Methyl-3-broMo-5-nitropyridine

Chemical Property of 3-Bromo-2-methyl-5-nitropyridine

Chemical Property:

• Vapor Pressure: 0.0113mmHg at 25°C
• Refractive Index: 1.599
• Boiling Point: 270.586 °C at 760 mmHg
• PKA: -0.44±0.20(Predicted)
• Flash Point: 117.447 °C
• PSA: 58.71000
• Density: 1.709 g/cm³
• LogP: 2.58390
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.95344
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-2-methyl-5-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-2-methyl-5-nitropyridine

There total 8 articles about 3-Bromo-2-methyl-5-nitropyridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

3-bromo-2-chloro-5-nitropyridine (5470-17-7) + diethyl malonate (105-53-3) → 3-bromo-2-methyl-5-nitropyridine (186593-42-0)

Guidance literature:

diethyl malonate; With sodium hydride; In diethyl ether; at 15 ℃; for 0.0833333h;

3-bromo-2-chloro-5-nitropyridine; In diethyl ether; at 26 - 114 ℃; for 1.5h;

With sulfuric acid; In water; for 8h; Heating / reflux;

Reference yield: 81.0%

diethyl 2-(3-bromo-5-nitropyridin-2-yl)malonate → 3-bromo-2-methyl-5-nitropyridine (186593-42-0)

Guidance literature:

With hydrogenchloride; In water; Reflux;

Reference yield:

3-bromo-2-chloro-5-nitropyridine (5470-17-7) + diethyl malonate (105-53-3) → 3-bromo-2-methyl-5-nitropyridine (186593-42-0)

Guidance literature:

With sodium hydroxide; In diethyl ether; mineral oil;

upstream raw materials:

3-bromo-2-chloro-5-nitropyridine

diethyl malonate

disodium 2,2-diethylamalonate

3-bromo-2-hydroxy-5-nitropyridine

Downstream raw materials:

5-chloro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

3-bromo-5-chloro-2-methylpyridine

2-methyl-5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

5-amino-3-bromo-2-methylpyridine

Refernces

• 1、 -. "Compounds for inflammation and immune-related uses". . . Retrieved 2017/05/10.
• 2、 -. "Amino substituted aryloxybenzylpiperidine derivatives". Page/Page column 8; 13. . Retrieved 2010/10/20.