2,4-Diazaspiro[5.5]undecane-1,3,5-trione

Base Information

• Chemical Name: 2,4-Diazaspiro[5.5]undecane-1,3,5-trione
• CAS No.: 52-44-8
• Molecular Formula: C9H12N2O3
• Molecular Weight: 196.2
• European Community (EC) Number: 827-927-0
• DSSTox Substance ID: DTXSID10199954
• Nikkaji Number: J40.862J
• Wikidata: Q83072984
• Mol file: 52-44-8.mol

Synonyms:2,4-diazaspiro[5.5]undecane-1,3,5-trione;52-44-8;BRN 0195010;2,4-DIAZASPIRO(5.5)UNDECANE-1,3,5-TRIONE;Spiro[pyrimidine-5,1'-cyclohexane]-2,4,6(1H,3H,5H)-trione;8,10-diazaspiro[5.5]undecane-7,9,11-trione;SCHEMBL4379931;DTXSID10199954;LS-60075;EN300-5031112;Z1262691938

Chemical Property of 2,4-Diazaspiro[5.5]undecane-1,3,5-trione

Chemical Property:

• Refractive Index: 1.5373 (estimate)
• Boiling Point: 333.09°C (rough estimate)
• PSA: 75.27000
• Density: 1.33g/cm³
• LogP: 0.96050
• Water Solubility.: 170.7mg/L(25 oC)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 283

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)C(=O)NC(=O)NC2=O

Technology Process of 2,4-Diazaspiro[5.5]undecane-1,3,5-trione

There total 3 articles about 2,4-Diazaspiro[5.5]undecane-1,3,5-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: 55.0%

BARBITURIC ACID (67-52-7,944357-77-1) + 1,5-dibromo-pentane (111-24-0) → 2,4-diaza-spiro[5.5]undecane-1,3,5-trione (52-44-8)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In N,N-dimethyl-formamide; at 70 - 80 ℃; for 20h;

Reference yield:

diethyl cyclohexane-1,1-dicarboxylate (1139-13-5) + urea (57-13-6) → 2,4-diaza-spiro[5.5]undecane-1,3,5-trione (52-44-8) + cyclohexane-1,1-dicarboxamide (3839-25-6)

Guidance literature:

With sodium ethanolate; at 105 ℃; unter Druck;

Reference yield:

cyclohexane-1,1-dicarbonyl dichloride (1459-28-5) → 2,4-diaza-spiro[5.5]undecane-1,3,5-trione (52-44-8)

Guidance literature:

With urea;

upstream raw materials:

cyclohexane-1,1-dicarbonyl dichloride

diethyl cyclohexane-1,1-dicarboxylate

urea

BARBITURIC ACID

Downstream raw materials:

cyclohexane carboxylic acid ureide

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