2,4(3H,5H)-Pyrimidinedione

Base Information

• Chemical Name: 2,4(3H,5H)-Pyrimidinedione
• CAS No.: 4433-22-1
• Molecular Formula: C4H4 N2 O2
• Molecular Weight: 112.088
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10576266
• Wikidata: Q82465847
• Mol file: 4433-22-1.mol

Synonyms:4433-22-1;2,4(3H,5H)-PYRIMIDINEDIONE;4,5-Dihydro-Uracil;SCHEMBL639499;pyrimidine-2,4(3h,5h)-dione;DTXSID10576266

Chemical Property of 2,4(3H,5H)-Pyrimidinedione

Chemical Property:

• PSA: 62.02000
• LogP: -0.59140
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.027277375
• Heavy Atom Count: 8
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=NC(=O)NC1=O

Technology Process of 2,4(3H,5H)-Pyrimidinedione

There total 1 articles about 2,4(3H,5H)-Pyrimidinedione 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:

5,6-dhydrouracil (504-07-4) → 2,4-dioxopyrimidine (4433-22-1)

Guidance literature:

With dinitrogen monoxide; potassium hexacyanoferrate(III); In water; at 20 ℃; Irradiation;

DOI:10.1039/P29840001777

Reference yield: 60.0%

2,4-dioxopyrimidine (4433-22-1) + Benzyl bromoacetate (5437-45-6) → benzyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate (176907-02-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 15h;

DOI:10.1016/j.bmc.2009.09.020

Reference yield:

2,4-dioxopyrimidine (4433-22-1) → uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6)

Guidance literature:

With dinitrogen monoxide; potassium hexacyanoferrate(III); In water; at 20 ℃; Rate constant; Mechanism; Irradiation; investigation of rearrangements depending on pH;

DOI:10.1039/P29840001777

upstream raw materials:

5,6-dhydrouracil

Downstream raw materials:

uracil

benzyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate

Refernces