5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide

Base Information

• Chemical Name: 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide
• CAS No.: 5624-08-8
• Molecular Formula: C11H11 N3 O2 S
• Molecular Weight: 249.293
• European Community (EC) Number: 227-053-4
• NSC Number: 96401
• Nikkaji Number: J208.868A
• Mol file: 5624-08-8.mol

Synonyms:Pth-asparagine;5624-08-8;5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide;2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide;4-Imidazolidineacetamide, 5-oxo-1-phenyl-2-thioxo-;NSC96401;Asparagine phenylthiohydantoin;ZQGVIKNSDQBZSS-UHFFFAOYSA-N;EINECS 227-053-4;NSC 96401;NSC-96401;5-Hydantoinacetamide, 3-phenyl-2-thio-;FT-0635787;2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamide;2-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)acetamide #

Chemical Property of 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide

Chemical Property:

• Vapor Pressure: 4.88E-09mmHg at 25°C
• Melting Point: 235 °C
• Boiling Point: 470.9°Cat760mmHg
• Flash Point: 238.6°C
• PSA: 107.52000
• Density: 1.45g/cm³
• LogP: 1.24580
• Storage Temp.: −20°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.05719778
• Heavy Atom Count: 17
• Complexity: 353

Purity/Quality:

98%min ^*data from raw suppliers

PTH-ASPARAGINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)N

Technology Process of 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide

There total 3 articles about 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide 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:

ASPARAGINE (3130-87-8,28088-48-4,7006-34-0) + phenyl isothiocyanate (103-72-0) → D,L-asparagine N-phenylthiohydantoin (5624-08-8)

Guidance literature:

With pyridine; sodium hydroxide; Behandeln des Reaktionsprodukts mit wss.HCl;

DOI:10.1021/ac60107a016 DOI:10.1093/sw/47.4.345

Reference yield:

phenyl isothiocyanate (103-72-0) → D,L-asparagine N-phenylthiohydantoin (5624-08-8)

Guidance literature:

With ethanol;

Reference yield:

→ D,L-asparagine N-phenylthiohydantoin (5624-08-8)

Guidance literature:

L-Asparagin, Py., W., Phenylisothiocyanat;

upstream raw materials:

ASPARAGINE

phenyl isothiocyanate

Downstream raw materials:

acide 3-phenyl 2-thio-5-hydantoine acetique

Refernces

• 1、 Auterhoff,Hansen. "Circular dichroism and configuration of alpha-amine acids". . p. 336 - 340. Retrieved 2007/10/04.