5-Ethylbarbituric acid

Base Information

• Chemical Name: 5-Ethylbarbituric acid
• CAS No.: 2518-72-1
• Molecular Formula: C6H8N2O3
• Molecular Weight: 156.141
• Hs Code.: 2933540000
• European Community (EC) Number: 219-743-9
• NSC Number: 66908,27274
• UNII: DX33TC4GHM
• DSSTox Substance ID: DTXSID90179850
• Nikkaji Number: J192.004I
• Wikidata: Q72472760
• Mol file: 2518-72-1.mol

Synonyms:5-ETHYLBARBITURIC ACID;2518-72-1;5-ethyl-1,3-diazinane-2,4,6-trione;Barbituric acid, 5-ethyl-;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-;DX33TC4GHM;5-ethyl-2,4,6(1h,3h,5h)-pyrimidinetrione;EINECS 219-743-9;NSC-27274;NSC-66908;2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-;ethylbarbituric acid;NSC66908;UNII-DX33TC4GHM;SCHEMBL145905;5-Ethylpyrimidine-2,4,6-triol;DTXSID90179850;NSC27274;NSC 27274;NSC 66908;AKOS006273877;5-ethylhexahydropyrimidine-2,4,6-trione;VU0422109-2;A817690;F9995-0213

Chemical Property of 5-Ethylbarbituric acid

Chemical Property:

• Melting Point: 225-226 °C
• Refractive Index: 1.467
• PKA: 4.62±0.40(Predicted)
• PSA: 75.27000
• Density: 1.243 g/cm³
• LogP: 0.03620
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.05349212
• Heavy Atom Count: 11
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

5-EthylbarbituricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)NC(=O)NC1=O

Technology Process of 5-Ethylbarbituric acid

There total 23 articles about 5-Ethylbarbituric acid 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: 88.0%

5-acetyl-pyrimidine-2,4,6-trione (58713-02-3) → 5-ethyl barbituric acid (2518-72-1)

Guidance literature:

With hydrogenchloride; zinc; In water; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)00111-4

Reference yield: 82.0%

ethyl diethyl malonate (133-13-1) + urea (57-13-6) → 5-ethyl barbituric acid (2518-72-1)

Guidance literature:

ethyl diethyl malonate; With sodium methylate; In methanol; for 0.5h; Reflux;

urea; In methanol; for 10h; Reflux;

DOI:10.3390/molecules16064764

Reference yield:

5-(N-hydroxylamino)-5-ethylbarbituric acid → 5-ethyl barbituric acid (2518-72-1)

Guidance literature:

With GLUTATHIONE; In methanol; aq. phosphate buffer; at 37 ℃; pH=7.4; Kinetics; Inert atmosphere;

upstream raw materials:

BARBITURIC ACID

acetaldehyde

5-ethyl-pyrimidine-2,4,6-triamine

ethyl diethyl malonate

Downstream raw materials:

6-[4-(2-methoxyphenyl)-1-piperazinyl]-5-ethyluracil

6-(4-phenyl-1-piperazinyl)-5-ethyluracil

6-benzoyl-5-ethyl-1-((4-fluorobenzyloxy)methyl)pyrimidine-2,4(1H,3H)-dione

6-benzoyl-1-(benzyloxymethyl)-5-ethylpyrimidine-2,4(1H,3H)-dione