6-Chloro-3-nitropyridin-2(1H)-one

Base Information

• Chemical Name: 6-Chloro-3-nitropyridin-2(1H)-one
• CAS No.: 92138-35-7
• Molecular Formula: C5H3ClN2O3
• Molecular Weight: 174.543
• Hs Code.: 2933399090
• European Community (EC) Number: 825-376-0
• DSSTox Substance ID: DTXSID90368121
• Nikkaji Number: J1.874.386H
• Mol file: 92138-35-7.mol

Synonyms:92138-35-7;6-Chloro-3-nitropyridin-2(1H)-one;6-chloro-3-nitropyridin-2-ol;6-Chloro-2-hydroxy-3-nitropyridine;2-HYDROXY-3-NITRO-6-CHLOROPYRIDINE;6-chloro-3-nitro-1H-pyridin-2-one;2(1H)-Pyridinone, 6-chloro-3-nitro-;6-Chloro-3-nitro-2(1H)-pyridinone;2(1h)-pyridinone,6-chloro-3-nitro-;3-nitro-6-chloro-2-pyridinol;AMY894;SCHEMBL1329938;SCHEMBL8710611;3-Nitro-6-chloropyridine-2-ol;DTXSID90368121;SCGNWULOSYKTQP-UHFFFAOYSA-N;2-chloro-5-nitro-6-hydroxypyridine;MFCD05261002;MFCD09276368;6-chloro-3-nitro-1H-pyridine-2-one;AKOS008965805;AKOS024258531;CS-W006247;SB52453;AC-25462;DS-15742;SY024710;6-chloro-3-nitro-1,2-dihydropyridin-2-one;FT-0655169;EN300-56873;A844154

Chemical Property of 6-Chloro-3-nitropyridin-2(1H)-one

Chemical Property:

• Vapor Pressure: 0.000503mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 313.2 °C at 760 mmHg
• PKA: 3.68±0.10(Predicted)
• Flash Point: 143.2 °C
• PSA: 78.94000
• Density: 1.61 g/cm³
• LogP: 1.87200
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 173.9832197
• Heavy Atom Count: 11
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-3-nitropyridin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=C1)Cl)[N+](=O)[O-]

Technology Process of 6-Chloro-3-nitropyridin-2(1H)-one

There total 2 articles about 6-Chloro-3-nitropyridin-2(1H)-one 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: 80.0%

2-amino-6-chloro-3-nitropyridine (27048-04-0) → 6-chloro-3-nitro-1H-pyridin-2-one (92138-35-7)

Guidance literature:

With sulfuric acid; sodium nitrite; at 0 ℃; for 0.5h;

DOI:10.1002/jhet.5570330670

Reference yield:

2,6-dicholoro-3-nitropyridine (16013-85-7,136901-10-5) → 6-chloro-3-nitro-1H-pyridin-2-one (92138-35-7)

Guidance literature:

2,6-dicholoro-3-nitropyridine; With ammonia; In ethanol;

With sulfuric acid; sodium nitrite;

With water;

DOI:10.1002/anie.200390154

Reference yield:

6-chloro-3-nitro-1H-pyridin-2-one (92138-35-7) + phenylboronic acid (98-80-6) → 3-nitro-6-phenylpyridin-2(1H)-one (39258-93-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; at 95 - 100 ℃; for 6h; Inert atmosphere;

upstream raw materials:

2-amino-6-chloro-3-nitropyridine

2,6-dicholoro-3-nitropyridine

Downstream raw materials:

6-chloro-3-nitro-2-(propan-2-yloxy)pyridine

2-(Benzyloxy)-6-chloro-3-nitropyridine

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

6-methoxy-5-nitropicolinic acid

Refernces

• 1、 -. "Proteomimetic compounds and methods". . . Retrieved 2008/06/13.
• 2、 Pomel,Rovera,Godard,Marsais,Queguiner. "Synthesis of new pyridine intermediates as precursors for the elaboration of streptonigrin analogues by the metalation-cross-coupling strategy". . p. 1995 - 2005. Retrieved 2007/10/03.