3-Thioxo-2,4-diazaspiro(5.5)undecane-1,5-dione

Base Information

• Chemical Name: 3-Thioxo-2,4-diazaspiro(5.5)undecane-1,5-dione
• CAS No.: 52-45-9
• Molecular Formula: C9H12N2O2S
• Molecular Weight: 212.27
• DSSTox Substance ID: DTXSID70199955
• Nikkaji Number: J68.501A
• Mol file: 52-45-9.mol

Synonyms:52-45-9;3-Thioxo-2,4-diazaspiro(5.5)undecane-1,5-dione;BRN 0195140;Spiro(cyclohexane-2-thiobarbituric) acid;2,4-DIAZASPIRO(5.5)UNDECANE-1,5-DIONE, 3-THIOXO-;3-Thioxo-2,4-diazaspiro[5.5]undecane-1,5-dione;C9H12N2O2S;DTXSID70199955;3-SULFANYLIDENE-2,4-DIAZASPIRO[5.5]UNDECANE-1,5-DIONE;LS-60074

Chemical Property of 3-Thioxo-2,4-diazaspiro(5.5)undecane-1,5-dione

Chemical Property:

• Refractive Index: 1.6800 (estimate)
• PSA: 97.27000
• Density: 1.36g/cm³
• LogP: 1.01960
• Water Solubility.: 73.23mg/L(25 oC)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 286

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(=S)NC2=O

Technology Process of 3-Thioxo-2,4-diazaspiro(5.5)undecane-1,5-dione

There total 3 articles about 3-Thioxo-2,4-diazaspiro(5.5)undecane-1,5-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:

diethyl cyclohexane-1,1-dicarboxylate (1139-13-5) + thiourea (17356-08-0) → 2,4-Diaza-3-thioxo-spiro<5.5>undecan-1,3-dion (52-45-9)

Guidance literature:

With sodium isopropylate;

DOI:10.1007/s12122-002-1034-2

Reference yield:

cyclohexane-1,1-dicarbonyl dichloride (1459-28-5) + thiourea (17356-08-0) → 2,4-Diaza-3-thioxo-spiro<5.5>undecan-1,3-dion (52-45-9)

Guidance literature:

Reference yield:

→ 2,4-Diaza-3-thioxo-spiro<5.5>undecan-1,3-dion (52-45-9)

Guidance literature:

Diethyl-cyclohexan-1,1-dicarboxylat, Thioharnstoff, Na, Me., DMSO;

DOI:10.1007/BF00757836

upstream raw materials:

cyclohexane-1,1-dicarbonyl dichloride

thiourea

diethyl cyclohexane-1,1-dicarboxylate