1-ethylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 1-ethylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 6490-42-2
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.142
• Hs Code.: 2933599090
• European Community (EC) Number: 667-926-0
• DSSTox Substance ID: DTXSID20400422
• Nikkaji Number: J881.410D
• Wikidata: Q82203397
• ChEMBL ID: CHEMBL4574914
• Mol file: 6490-42-2.mol

Synonyms:1-ethylpyrimidine-2,4(1H,3H)-dione;6490-42-2;1-ethylpyrimidine-2,4-dione;1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;1-ethyluracil;ethyluracil;2,4(1H,3H)-Pyrimidinedione, 1-ethyl-;SCHEMBL1923335;CHEMBL4574914;DTXSID20400422;HMS1773E10;AKOS001200000;1-ethyl-2,4(1H,3H)-pyrimidinedione;AT19350;SB56941;BS-51177;CS-0241656;EN300-23587;F2185-1040;Z156927572

Chemical Property of 1-ethylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Refractive Index: 1.5
• PSA: 55.12000
• Density: 1.193 g/cm³
• LogP: -0.03120
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

1-ETHYLPYRIMIDINE-2,4(1H,3H)-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CC(=O)NC1=O

Technology Process of 1-ethylpyrimidine-2,4(1H,3H)-dione

There total 17 articles about 1-ethylpyrimidine-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: 92.0%

3-benzoyl-1-ethyluracil (316352-69-9) → N-1-ethyluracil (6490-42-2)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 24h;

DOI:10.1080/00304940109356610

Reference yield: 79.0%

1-ethyl-4-(methylsulfanyl)pyrimidin-2(1H)-one (25855-36-1) → N-1-ethyluracil (6490-42-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

DOI:10.1002/ejoc.200500556

Reference yield: 53.0%

ethanol (64-17-5) + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → N-1-ethyluracil (6490-42-2)

Guidance literature:

ethanol; With phosphorus pentoxide; potassium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

uracil; With potassium carbonate; triethylamine; In N,N-dimethyl-formamide; for 9h; regioselective reaction; Reflux;

DOI:10.1016/j.tet.2019.130499

upstream raw materials:

4-ethoxy-1-ethyl-2(1H)-pyrimidinone

methyl 3,3-dimethoxypropionate

N-Ethylurea

ethyl iodide

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