6-Chloro-2-methoxy-3-nitropyridine

Base Information

• Chemical Name: 6-Chloro-2-methoxy-3-nitropyridine
• CAS No.: 40851-91-0
• Molecular Formula: C6H5ClN2O3
• Molecular Weight: 188.57
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50444995
• Wikidata: Q72453266
• Mol file: 40851-91-0.mol

Synonyms:6-CHLORO-2-METHOXY-3-NITROPYRIDINE;40851-91-0;6-chloro-2-methoxy-3-nitro-pyridine;Pyridine, 6-chloro-2-methoxy-3-nitro-;MFCD09033798;Pyridine,6-chloro-2-methoxy-3-nitro-;SCHEMBL908949;AMY4818;DTXSID50444995;OVVBXVJFGCFEFK-UHFFFAOYSA-N;2-chloro-6-methoxy-5-nitropyridine;2-methoxy-3-nitro-6-chloro-pyridine;AKOS015852270;CS-W018586;AC-25461;DS-11635;SY104860;FT-0645465;EN300-40163;A825320;AR-362/43519161;J-518523;6-Chloro-3-nitro-2-methoxypyridine;2-Chloro-6-methoxy-5-nitropyridine

Chemical Property of 6-Chloro-2-methoxy-3-nitropyridine

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 284.797 °C at 760 mmHg
• PKA: -3.96±0.10(Predicted)
• Flash Point: 126.041 °C
• PSA: 67.94000
• Density: 1.446 g/cm³
• LogP: 2.17500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.9988697
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

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

6-Chloro-2-methoxy-3-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=N1)Cl)[N+](=O)[O-]

Technology Process of 6-Chloro-2-methoxy-3-nitropyridine

There total 2 articles about 6-Chloro-2-methoxy-3-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: 100.0%

K2 CO3 powder + 2,6-dicholoro-3-nitropyridine (16013-85-7,136901-10-5) → 6-chloro-2-methoxy-3-nitropyridine (40851-91-0) + 2-chloro-6-methoxy-3-nitropyridine (38533-61-8)

Guidance literature:

In methanol; ethyl acetate;

Reference yield:

methanol (67-56-1) + 2,6-dicholoro-3-nitropyridine (16013-85-7,136901-10-5) → 6-chloro-2-methoxy-3-nitropyridine (40851-91-0) + 2-chloro-6-methoxy-3-nitropyridine (38533-61-8) + 2,6-dimethoxy-3-nitropyridine (18677-41-3)

Guidance literature:

methanol; With sodium hydride; In toluene; Inert atmosphere;

2,6-dicholoro-3-nitropyridine; In toluene; at 0 - 20 ℃; for 16.5h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.06.007

Reference yield: 74.0%

6-chloro-2-methoxy-3-nitropyridine (40851-91-0) + 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyran (287944-16-5) → C12H13NO4

Guidance literature:

With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; water; at 80 ℃; for 4h; Inert atmosphere; Schlenk technique;

upstream raw materials:

2,6-dicholoro-3-nitropyridine

methanol

Downstream raw materials:

methyl 5-amino-6-methoxypyridine-2-carboxylate

6-methoxy-5-nitropicolinic acid

ethyl (E)-3-(6-methoxy-5-nitropyridin-2-yl)acrylate

N-(2-((5-chloro-2-((2-methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide

Refernces

• 1、 -. "Cell adhesion inhibitors". . . Retrieved 2008/06/13.