4-Imidazolidinone, 5-ethyl-3-phenyl-2-thioxo-

Base Information

• Chemical Name: 4-Imidazolidinone, 5-ethyl-3-phenyl-2-thioxo-
• CAS No.: 66256-32-4
• Molecular Formula: C11H12N2OS
• Molecular Weight: 220.29100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60386776
• Nikkaji Number: J267.404A
• Mol file: 66256-32-4.mol

Synonyms:66256-32-4;4-Imidazolidinone, 5-ethyl-3-phenyl-2-thioxo-;5-ethyl-3-phenyl-2-sulfanylideneimidazolidin-4-one;5-Ethyl-3-phenyl-2-thioxoimidazolidin-4-one;PTH-DL-2-Aminobutyric acid;PTH-alpha-aminobutyric acid;PTH- alpha -aminobutyric acid;SCHEMBL12877356;DTXSID60386776;CS-0238667;FT-0641057;EN300-199118;SR-01000221656;SR-01000221656-1

Chemical Property of 4-Imidazolidinone, 5-ethyl-3-phenyl-2-thioxo-

Chemical Property:

• Vapor Pressure: 0.000488mmHg at 25°C
• Melting Point: approximate 215℃
• Boiling Point: 313.7oC at 760 mmHg
• Flash Point: 143.5oC
• PSA: 64.43000
• Density: 1.28g/cm3
• LogP: 2.08010
• Storage Temp.: −20°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.06703418
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

98%min ^*data from raw suppliers

PTH-ALPHA-AMINOBUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N(C(=S)N1)C2=CC=CC=C2

Technology Process of 4-Imidazolidinone, 5-ethyl-3-phenyl-2-thioxo-

There total 2 articles about 4-Imidazolidinone, 5-ethyl-3-phenyl-2-thioxo- 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: 68.0%

phenyl isothiocyanate (103-72-0) + 2-aminobutanoic acid (2835-81-6) → 5-ethyl-3-phenyl-2-thioxoimidazolidin-4-one (66256-32-4)

Guidance literature:

phenyl isothiocyanate; 2-aminobutanoic acid; With triethylamine; In 1,4-dioxane; water; at 0 ℃; for 1h;

With hydrogenchloride; In 1,4-dioxane; water; at 0 - 50 ℃; for 12h; pH=Ca. 2;

DOI:10.1002/chem.201902817

Reference yield:

phenyl isothiocyanate (103-72-0) → 5-ethyl-3-phenyl-2-thioxoimidazolidin-4-one (66256-32-4)

Guidance literature:

With ethanol; folgend Eindampfen mit Salzsaeure;

Reference yield: 83.0%

5-ethyl-3-phenyl-2-thioxoimidazolidin-4-one (66256-32-4) + benzyl bromide (100-39-0) → 2-(benzylthio)-5-ethyl-3-phenyl-3,5-dihydro-4H-imidazol-4-one

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 0 - 20 ℃;

DOI:10.1002/chem.201902817

upstream raw materials:

phenyl isothiocyanate

2-aminobutanoic acid

Refernces