1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione

Base Information

• Chemical Name: 1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
• CAS No.: 50721-57-8
• Molecular Formula: C₆H₈N₂O₃
• Molecular Weight: 156.141
• Hs Code.: 2933540000
• NSC Number: 85000
• DSSTox Substance ID: DTXSID20292708
• Nikkaji Number: J1.626.381H
• Wikidata: Q82031122
• Mol file: 50721-57-8.mol

Synonyms:50721-57-8;1-ethyl-1,3-diazinane-2,4,6-trione;1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione;NSC85000;starbld0008238;NCIOpen2_001052;SCHEMBL145904;DTXSID20292708;SGKUPLCQYHQBTN-UHFFFAOYSA-N;NSC-85000;STL367530;AKOS000450448;NS-01206;EN300-127591;AB-323/25048253;Z1198159454

Chemical Property of 1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property:

• Refractive Index: 1.493
• PSA: 66.48000
• Density: 1.294 g/cm³
• LogP: -0.25850
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.05349212
• Heavy Atom Count: 11
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=O)CC(=O)NC1=O

Technology Process of 1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione

There total 3 articles about 1-ethylpyrimidine-2,4,6(1H,3H,5H)-trione 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: 75.0%

N-Ethylurea (625-52-5) + malonic acid (141-82-2) → 1-ethylpyrimidine-2, 4, 6(1H,3H,5H)-trione (50721-57-8)

Guidance literature:

With acetic anhydride; acetic acid; at 70 - 90 ℃; for 3h;

Reference yield: 45.0%

N-Ethylurea (625-52-5) + diethyl malonate (105-53-3) → 1-ethylpyrimidine-2, 4, 6(1H,3H,5H)-trione (50721-57-8)

Guidance literature:

With sodium ethanolate; In ethanol; for 1h; Reflux;

Reference yield:

N-Ethylurea (625-52-5) + malonic acid (141-82-2) → 6-hydroxy-3-ethylpyrimidine-2,4(1H,3H)-dione (50721-57-8)

Guidance literature:

In acetic anhydride; at 60 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.tetlet.2010.09.044

upstream raw materials:

N-Ethylurea

malonic acid

diethyl malonate

Downstream raw materials:

6-chloro-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

6-(benzylamino)-3-ethyl-5-nitrosouracil

6-(benzylamino)-3-ethyluracil

6-((cyclohexylmethyl)amino)-3-ethyl-5-nitrosouracil

Refernces

• 1、 -. "Barbiturate and thiobarbiturate compounds for use in cancer therapy". Page/Page column 56. . Retrieved 2018/02/28.
• 2、 -. "CYCLIC THIENOURACILCARBOXAMIDES AND USE THEREOF". Paragraph 0250. . Retrieved 2016/10/08.