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

Base Information

• Chemical Name: 4-Chloro-6-methyl-3-nitropyridin-2(1H)-one
• CAS No.: 95835-64-6
• Molecular Formula: C6H5 Cl N2 O3
• Molecular Weight: 188.57
• DSSTox Substance ID: DTXSID80465739
• Wikidata: Q82291931
• Mol file: 95835-64-6.mol

Synonyms:4-CHLORO-6-METHYL-3-NITROPYRIDIN-2(1H)-ONE;95835-64-6;4-chloro-6-methyl-3-nitro-1H-pyridin-2-one;4-chloro-2-hydroxy-6-methyl-3-nitropyridine;SCHEMBL2100592;DTXSID80465739;LXOGQFQXRSVZRP-UHFFFAOYSA-N;4-chloro-6-methyl-3-nitropyridone;MFCD08236749;AKOS006284034;AB43913;6-methyl-3-nitro-4-chloropyridin-2-one;4-chloro-6-methyl-3-nitro-pyridin-2-ol;AS-77443;CS-0106454;FT-0736355;A845479;D-(-)-2-CHLOROPHENYLGLYCINEMETHYLESTERHCL

Chemical Property of 4-Chloro-6-methyl-3-nitropyridin-2(1H)-one

Chemical Property:

• Melting Point: 215-216 °C
• Boiling Point: 288.5±40.0 °C(Predicted)
• PKA: 6.99±0.10(Predicted)
• Density: 1.51±0.1 g/cm3(Predicted)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.9988697
• Heavy Atom Count: 12
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-6-methyl-3-nitropyridin-2(1H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-6-methyl-3-nitropyridin-2(1H)-one

There total 7 articles about 4-Chloro-6-methyl-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:

4-hydroxy-6-methyl-3-nitro-2(1H)-pyridinone (4966-90-9) + cyclohexylamine (108-91-8,157973-60-9) → 4-chloro-6-methyl-3-nitro-2-pyridone (95835-64-6)

Guidance literature:

With trichlorophosphate; In methanol; water;

Reference yield:

4-hydroxy-6-methyl-3-nitro-2(1H)-pyridinone (4966-90-9) → 4-chloro-6-methyl-3-nitro-2-pyridone (95835-64-6)

Guidance literature:

4-hydroxy-6-methyl-3-nitro-2(1H)-pyridinone; With cyclohexylamine; In methanol; at 20 ℃; for 0.666667h;

With trichlorophosphate; at 20 ℃; for 80h;

DOI:10.1021/jm049737f

Reference yield:

C6H6N2O4*C6H13N → 4-chloro-6-methyl-3-nitro-2-pyridone (95835-64-6)

Guidance literature:

With trichlorophosphate; at 20 ℃; for 80h;

DOI:10.1016/j.tetlet.2010.03.070

upstream raw materials:

2,4-Dihydroxy-6-methyl-3-nitropyridine

trichlorophosphate

4-hydroxy-6-methyl-3-nitro-2(1H)-pyridinone

cyclohexylamine

Downstream raw materials:

2-hydroxy-6-methyl-3-aminopyridine

4-amino-6-methyl-3-nitro-pyridin-2-ol

6-methyl-1,5-dihydro-imidazo[4,5-c]pyridin-4-one

4Benzylamino-6-methyl-3-nitro-pyridin-2-ol