5-Ethyl-1,3-dimethylbarbituric acid

Base Information

• Chemical Name: 5-Ethyl-1,3-dimethylbarbituric acid
• CAS No.: 7391-61-9
• Molecular Formula: C8H12N2O3
• Molecular Weight: 184.195
• Hs Code.: 2933540000
• European Community (EC) Number: 230-980-7
• NSC Number: 128099
• UNII: 57V098SX0D
• DSSTox Substance ID: DTXSID40224501
• Nikkaji Number: J14.776A
• Wikidata: Q83103097
• Mol file: 7391-61-9.mol

Synonyms:1,3-Dimethyl-5-ethylbarbituric acid;5-Ethyl-1,3-dimethylbarbituric acid;Barbituric acid, 1,3-dimethyl-5-ethyl-;7391-61-9;Barbituric acid, 5-ethyl-1,3-dimethyl-;EINECS 230-980-7;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-;NSC 128099;BRN 0175019;57V098SX0D;NSC-128099;NSC128099;UNII-57V098SX0D;SCHEMBL1263716;DTXSID40224501;Barbituric acid,3-dimethyl-5-ethyl-;1,3-dimethyl-5-ethyl-barbituric acid;LS-24215;2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-;5-Ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #

Chemical Property of 5-Ethyl-1,3-dimethylbarbituric acid

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Boiling Point: 253.8°C at 760 mmHg
• Flash Point: 101.3°C
• PSA: 57.69000
• Density: 1.183g/cm³
• LogP: -0.06120
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.08479225
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N(C(=O)N(C1=O)C)C

Technology Process of 5-Ethyl-1,3-dimethylbarbituric acid

There total 12 articles about 5-Ethyl-1,3-dimethylbarbituric 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: 96.0%

5-acetyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazine (58713-03-4) → 1,3-dimethyl-5-ethylpyrimidine-2,4,6-(1H,3H,5H)-trione (7391-61-9)

Guidance literature:

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

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

Reference yield: 93.0%

1,3-dimethylbarbituric acid (769-42-6) + ethanol (64-17-5) → 1,3-dimethyl-5-ethylpyrimidine-2,4,6-(1H,3H,5H)-trione (7391-61-9)

Guidance literature:

With C₉H₁₄B₁₀ClFeNS; In toluene; at 20 ℃; for 1h;

Reference yield: 91.0%

1,3-dimethylbarbituric acid (769-42-6) + triethylamine (121-44-8) → 1,3-dimethyl-5-ethylpyrimidine-2,4,6-(1H,3H,5H)-trione (7391-61-9)

Guidance literature:

In 1,2-dichloro-benzene; for 1h;

upstream raw materials:

N,N'-Dimethylurea

ethyl diethyl malonate

ethylmalonic acid

1,3-dimethylbarbituric acid

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