1,3,6-Trimethyl-5-nitropyrimidine-2,4(1h,3h)-dione

Base Information

• Chemical Name: 1,3,6-Trimethyl-5-nitropyrimidine-2,4(1h,3h)-dione
• CAS No.: 55326-07-3
• Molecular Formula: C7H9N3O4
• Molecular Weight: 199.166
• Hs Code.: 2933599090
• European Community (EC) Number: 667-698-2
• Nikkaji Number: J1.569.990F
• Mol file: 55326-07-3.mol

Synonyms:1,3,6-trimethyl-5-nitropyrimidine-2,4(1h,3h)-dione;55326-07-3;1,3,6-Trimethyl-5-nitrouracil;1,3,6-trimethyl-5-nitropyrimidine-2,4-dione;1,3,6-trimethyl-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dione;1,3,6-trimethyl-5-nitro-1h-pyrimidine-2,4-dione;5-NITRO-1,3,6-TRIMETHYLURACIL;SCHEMBL480656;1,3,6-trimethyl-5-nitro-1,3-dihydropyrimidine-2,4-dione;OSTDULKDQDIIKB-UHFFFAOYSA-N;AKOS001654393;EU-0046423;FT-0606538;1,3,6-trimethyl-5-nitro-1H-pyrimidine-2,4dione;AB-323/25048278;SR-01000502174;SR-01000502174-1;5-nitro-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione;6-methyl-5-nitro-1,3-dimethyl-1H-pyrimidine-2,4-dione;5-(nitro)-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione

Chemical Property of 1,3,6-Trimethyl-5-nitropyrimidine-2,4(1h,3h)-dione

Chemical Property:

• Vapor Pressure: 0.00582mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 273.2 °C at 760 mmHg
• Flash Point: 119 °C
• PSA: 89.82000
• Density: 1.43 g/cm³
• LogP: -0.17620
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 199.05930578
• Heavy Atom Count: 14
• Complexity: 354

Purity/Quality:

98%Min ^*data from raw suppliers

5-NITRO-1,3,6-TRIMETHYLURACIL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-]

Technology Process of 1,3,6-Trimethyl-5-nitropyrimidine-2,4(1h,3h)-dione

There total 8 articles about 1,3,6-Trimethyl-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: 86.0%

1,3,6-trimethyluracil (13509-52-9) → 1,3,6-trimethyl-5-nitrouracil (55326-07-3)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 1h;

DOI:10.1016/j.farmac.2003.07.009

Reference yield: 55.0%

3,6-dimethyl-5-nitro-1-(p-nitrophenyl)uracil (38500-84-4) + methylamine (74-89-5) → 1,3,6-trimethyl-5-nitrouracil (55326-07-3)

Guidance literature:

In ethanol; water; for 12h; Ambient temperature;

DOI:10.1039/P19900000367

Reference yield:

5-nitro-6-methyluracil (16632-21-6) → 1,3,6-trimethyl-5-nitrouracil (55326-07-3)

Guidance literature:

With dimethyl sulfate; In sodium hydroxide;

upstream raw materials:

1,3,6-trimethyluracil

5-nitro-6-methyluracil

dimethyl sulfate

3,6-dimethyl-5-nitro-1-(p-nitrophenyl)uracil

Downstream raw materials:

1,3-dimethyl-6-(4-methyl-styryl)-5-nitro-1H-pyrimidine-2,4-dione

7-hydroxy-1,3-dimethyl-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione

1,3-Dimethyl-6-phenylpyrido<3,2-d>pyrimidine-2,4(1H,3H)-dione

6-(4-Fluoro-phenyl)-7-hydroxy-1,3-dimethyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione

Refernces

• 1、 Baraldi, Pier Giovanni,Romagnoli, Romeo,Saponaro, Giulia,Aghazadeh Tabrizi, Mojgan,Baraldi, Stefania,Pedretti, Pamela,Fusi, Camilla,Nassini, Romina,Materazzi, Serena,Geppetti, Pierangelo,Preti, Delia. "7-Substituted-pyrrolo[3,2-d]pyrimidine-2,4-dione derivatives as antagonists of the transient receptor potential ankyrin 1 (TRPA1) channel: A promising approach for treating pain and inflammation". scheme or table. p. 1690 - 1698. Retrieved 2012/04/23.
• 2、 Esteve, Cristina,Nueda, Arsenio,Diaz, Jose Luis,Beleta, Jorge,Cardenas, Alvaro,Lozoya, Estrella,Cadavid, Maria Isabel,Loza, Maria Isabel,Ryder, Hamish,Vidal, Bernat. "New pyrrolopyrimidin-6-yl benzenesulfonamides: Potent A2B adenosine receptor antagonists". . p. 3642 - 3645. Retrieved 2008/09/21.