1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
• CAS No.: 41613-26-7
• Molecular Formula: C6H7N3O4
• Molecular Weight: 185.139
• Hs Code.: 2933599090
• European Community (EC) Number: 255-462-8
• NSC Number: 70452
• DSSTox Substance ID: DTXSID60961840
• Nikkaji Number: J320.110D
• Mol file: 41613-26-7.mol

Synonyms:1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione;41613-26-7;1,3-Dimethyl-5-nitrouracil;1,3-dimethyl-5-nitropyrimidine-2,4-dione;1,3-dimethyl-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione;EINECS 255-462-8;1,3-dimethyl-5-nitro-2,4(1H,3H)-pyrimidinedione;NSC70452;5-Nitro-1,3-dimethyluracil;SCHEMBL480361;DTXSID60961840;MFCD00023800;NSC 70452;NSC-70452;STK502880;AKOS000321332;AKOS015892580;AT19361;LS-01469;BB 0240749;CS-0308933;EN300-141541;AB-323/25048251;5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

Chemical Property of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Vapor Pressure: 0.0107mmHg at 25°C
• Melting Point: 155-160ºC(lit.)
• Refractive Index: 1.592
• Boiling Point: 262.7 °C at 760 mmHg
• Flash Point: 112.7 °C
• PSA: 99.05000
• Density: 1.51 g/cm³
• LogP: -0.54890
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 185.04365571
• Heavy Atom Count: 13
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C=C(C(=O)N(C1=O)C)[N+](=O)[O-]

Technology Process of 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione

There total 18 articles about 1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione 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%

5-nitrobarbituric acid (611-08-5,28806-18-0) + methyl bromide (74-83-9) → 1,3-dimethyl-5-nitrouracil (41613-26-7)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; at 20 ℃; for 24h;

Reference yield: 95.0%

3-methyl-5-nitro-1-(p-nitrophenyl)uracil (108047-30-9) + methylamine (74-89-5) → 1,3-dimethyl-5-nitrouracil (41613-26-7) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

In methanol; for 0.5h; Ambient temperature;

DOI:10.1039/P19900000367

Reference yield: 92.0%

1-methyl-1-(3-methylamino-2-nitroacryloyl)-3-(p-nitro-phenyl)urea methylammonium salt (128039-12-3) → 1,3-dimethyl-5-nitrouracil (41613-26-7)

Guidance literature:

With triethylamine; In ethanol; for 6h; Ambient temperature; ethanol, 5 min, reflux;

DOI:10.1039/P19900000367

upstream raw materials:

5-nitrobarbituric acid

methyl bromide

methyl iodide

1,3-dimethyluracil

Downstream raw materials:

hexahydropyrimidine

1,3-dimethylimidazolidine-2,4-dione

5-hydroxy-1,3-dimethylimidazolidine-2,4-dione

nicotinamide

Refernces

• 1、 Pitman et al.. "-". . p. 1840. Retrieved 1974.
• 2、 -. "IMIDAZOPYRROLIDINONE COMPOUNDS". Page/Page column 280. . Retrieved 2013/08/15.