17758-39-3

Basic information

• Product Name: 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE
• Synonyms: 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE;2(1H)-PyriMidinone, 1-Methyl-5-nitro-
• CAS NO: 17758-39-3
• Molecular Formula: C₅H₅N₃O₃
• Molecular Weight: 155.11
• Mol File: 17758-39-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 239.7°Cat760mmHg
• Flash Point: 98.7°C
• Appearance: /
• Density: 1.52g/cm³
• Vapor Pressure: 0.0396mmHg at 25°C
• Refractive Index: 1.634
• CAS DataBase Reference: 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE(17758-39-3)
• EPA Substance Registry System: 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE(17758-39-3)

Safety Data

• Hazardous Substances Data: 17758-39-3(Hazardous Substances Data)

Usage

General Description

1-Methyl-5-nitro-2(1H)-pyrimidinone is a chemical compound with the molecular formula C5H5N3O3. It is a nitro-substituted pyrimidinone derivative that is used as an intermediate in the synthesis of pharmaceuticals and agricultural chemicals. 1-METHYL-5-NITRO-2(1H)-PYRIMIDINONE is a white to yellow crystalline solid, soluble in water and organic solvents, and is commonly used in organic synthesis for the production of various compounds. It is important to handle this chemical with caution, as it may be harmful if ingested, inhaled, or absorbed through the skin, and can cause irritation to the eyes, skin, and respiratory system. Proper safety precautions should be taken when handling and storing 1-methyl-5-nitro-2(1H)-pyrimidinone.

InChI:InChI=1/C5H5N3O3/c1-7-3-4(8(10)11)2-6-5(7)9/h2-3H,1H3

Upstream product

• 3739-81-9 1-methyl-1H-pyrimidin-2-one 
• 74-88-4 methyl iodide 
• 3264-10-6 5-nitro-2(1H)-pyrimidinone 
• 102-52-3 malonaldehydebis(dimethylacetal) 
• 598-50-5 N-Methylurea 

Downstream Products

• 10220-22-1 1-(4-nitro-phenyl)-pyrrolidine 
• 3760-54-1 1-pyrrolidinecarboxaldehyde 
• 598-50-5 N-Methylurea 
• 1422046-85-2 N-(2-hydroxy-3,5-di-tert-butylphenyl)-3-(2-hydroxy-3,5-di-tert-butyl-phenyl)amino-2-nitro-2-propeneimine 
• 21203-68-9 2-methyl-5-nitropyridine 
• 6960-20-9 3-methyl-5-nitropyridine 
• 84531-35-1 5,6,7,8-tetrahydro-3-nitro-quinoline 

Relevant articles and documents

Synthesis and intramolecular ring transformation of: N, N ′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes

The first and facile synthesis of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes was achieved by the [4 + 4] self-condensation of β-formyl-β-nitroenamine in the presence of ammonium acetate. The 2,6- A nd 2,9-dialkylated products were found to be interconvertible when dissolved in a solvent. This isomerization proceeds through intramolecular ring transformation via a common intermediate under equilibrium. This journal is

Nitropyrimidinones; synthetic equivalents of diformylamine and nitromalonaldehyde

Reactions of two isomeric nitropyrimidinones with bidentate enolate anions were studied. When 3-methyl-5-nitropyrimidin-4(3H)-one (1) was employed, ring transformation proceeded to give pyridin-4(1H)-ones 3 functionalized at the 3- or 5-positions. This pyrimidin-4-one 1 behaved as an activated diformylamine HN(CHO)2. 1-Methyl-5-nitropyrimidin-2(1H)-one (2) afforded polyfunctionalized bicyclo[3.3.1]nonene derivatives 7 and 8 and/or p-nitrophenol derivatives 9. In this case, pyrimidin-2-one 2 acted as the synthetic equivalent of unstable O2NCH(CHO)2. These two nitropyrimidinones are valuable intermediates for the synthesis of polyfunctionalized compounds.

Pyrimidines. 18. A Novel Pyrimidine to Benzene Ring Transformation Reaction. Conversion of 5-Nitro-2(1H)-pyrimidinone into p-Nitrophenol Derivatives

5-Nitro-2(1H)-pyrimidinone (1) underwent acid-catalyzed condensation with acetone and ethyl acetoacetate to form 4-ketonyl-5-nitropyrimidines 2 and 10 which were readily converted into p-nitrophenol (3) and 5-nitrosalicylic acid (11), respectively, by NaO