4-Imidazolidinepropanoic acid, 5-oxo-1-phenyl-2-thioxo-

Base Information

• Chemical Name: 4-Imidazolidinepropanoic acid, 5-oxo-1-phenyl-2-thioxo-
• CAS No.: 5624-27-1
• Molecular Formula: C12H12 N2 O3 S
• Molecular Weight: 264.305
• Hs Code.: 2933990090
• European Community (EC) Number: 227-056-0
• NSC Number: 96413
• DSSTox Substance ID: DTXSID601213608
• Nikkaji Number: J208.853C
• Mol file: 5624-27-1.mol

Synonyms:5624-27-1;Pth-glutamic acid;Phenylthiohydantoin-glutamic Acid;4-Imidazolidinepropanoic acid, 5-oxo-1-phenyl-2-thioxo-;Glutamic acid phenylthiohydantoin;Glutamic phenylthiohydantoin;3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propanoic acid;3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid;EINECS 227-056-0;5-Oxo-1-phenyl-2-thioxo-4-imidazolidinepropionic acid;3-Phenyl-5-beta-carboxyethyl-2-thioguidantoin;4-IMIDAZOLIDINEPROPIONIC ACID, 5-OXO-1-PHENYL-2-THIOXO-;5-Oxo-1-phenyl-2-thioxoimidazolidine-4-propionic acid;Pth-L-glutamic acid;CBMicro_034994;NCIOpen2_007043;Oprea1_049163;SCHEMBL13898831;ULKNJYDXLYMGFB-UHFFFAOYSA-N;DTXSID601213608;HMS1611N05;NSC96413;CCG-18197;MFCD00070137;NSC 96413;NSC-96413;STK735578;AKOS001668620;AKOS021994756;LS-79253;3-Phenyl-2-thiohydantoin-5-propionic Acid;BIM-0035117.P001;CS-0317626;FT-0635788;P0375;T72624;3-Phenyl-5-.beta.-carboxyethyl-2-thioguidantoin;A830972;5-Oxo-1-phenyl-2-thioxo-4-imidazolidinepropanoic acid;3-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanoic acid #;3-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)propanoic acid

Chemical Property of 4-Imidazolidinepropanoic acid, 5-oxo-1-phenyl-2-thioxo-

Chemical Property:

• Vapor Pressure: 1.26E-08mmHg at 25°C
• Melting Point: 168 °C
• Boiling Point: 443°Cat760mmHg
• PKA: 4.44±0.10(Predicted)
• Flash Point: 221.7°C
• PSA: 101.73000
• Density: 1.45g/cm³
• LogP: 1.53490
• Storage Temp.: −20°C
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.05686342
• Heavy Atom Count: 18
• Complexity: 366

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenylthiohydantoin-glutamic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Imidazolidinepropanoic acid, 5-oxo-1-phenyl-2-thioxo-

There total 3 articles about 4-Imidazolidinepropanoic acid, 5-oxo-1-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:

phenyl isothiocyanate (103-72-0) → D,L-glutamic acid N-phenylthiohydantoin (5624-27-1)

Guidance literature:

With ethanol; anschliessend Eindampfen des Reaktionsprodukts mit Salzsaeure;

Reference yield:

L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + phenyl isothiocyanate (103-72-0) → D,L-glutamic acid N-phenylthiohydantoin (5624-27-1)

Guidance literature:

With pyridine; Erhitzen des Reaktionsprodukts mit wss.HCl;

DOI:10.1093/sw/47.4.345

Reference yield:

→ D,L-glutamic acid N-phenylthiohydantoin (5624-27-1)

Guidance literature:

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

upstream raw materials:

L-glutamic acid

phenyl isothiocyanate

Refernces

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