Tyrosine phenylthiohydantoin

Base Information

• Chemical Name: Tyrosine phenylthiohydantoin
• CAS No.: 29588-08-7
• Molecular Formula: C16H14 N2 O2 S
• Molecular Weight: 298.365
• Hs Code.: 2933990090
• NSC Number: 96434
• DSSTox Substance ID: DTXSID70952067
• Nikkaji Number: J53.640G
• ChEMBL ID: CHEMBL1530486
• Mol file: 29588-08-7.mol

Synonyms:PTH-tyrosine;4332-95-0;Tyrosine phenylthiohydantoin;Phenylthiohydantoin-tyrosine;5-(4-hydroxybenzyl)-3-phenyl-2-thioxoimidazolidin-4-one;Throsine, 3-phenyl-2-thiohydantoin;Tyrosine, 3-phenyl-2-thiohydantoin;2-Thio-3-phenyl-5-(p-hydroxybenzyl)hydantoin;3-Phenyl-5-(p-hydroxybenzyl)-2-thiohydantoin;NSC 96434;Hydantoin, 5-(p-hydroxybenzyl)-3-phenyl-2-thio-;5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one;4-Imidazolidinone, 5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-thioxo-;5-((4-Hydroxyphenyl)methyl)-3-phenyl-2-thioxo-4-imidazolidinone;4-IMIDAZOLIDINONE, 5-((4-HYDROXYPHENYL)METHYL)-3-PHENYL-2-THIOXO-;5-[(4-Hydroxyphenyl)methyl]-3-phenyl-2-thioxo-4-imidazolidinone;EINECS 249-704-1;5-(4-Hydroxybenzyl)-3-phenyl-2-thiohydantoin;NSC96434;CBMicro_035219;Oprea1_706911;MLS000570956;SCHEMBL8291275;CHEMBL1530486;DTXSID70952067;LCFDDJINTNHAEQ-UHFFFAOYSA-N;HMS2456P17;CCG-18199;MFCD00027415;NSC-96434;STK865672;ZINC00171200;AKOS001668621;NCGC00245767-01;LS-79489;SMR000193378;BIM-0035194.P001;CS-0327331;EU-0074438;FT-0635231;P0368;T72473;A826247;SR-01000458674;SR-01000458674-1;5-(4-hydroxybenzyl)-3-phenyl-2-thioxo-4-imidazolidinone;5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-thioxo-imidazolidin-4-one;5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-sulfanylidene-4-imidazolidinone;5-[(4-Hydroxyphenyl)methyl]-3-phenyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one

Chemical Property of Tyrosine phenylthiohydantoin

Chemical Property:

• Vapor Pressure: 2.37E-09mmHg at 25°C
• Boiling Point: 467.2°Cat760mmHg
• Flash Point: 236.4°C
• PSA: 91.70000
• Density: 1.41g/cm³
• LogP: 2.13650
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 298.07759887
• Heavy Atom Count: 21
• Complexity: 401

Purity/Quality:

99% ^*data from raw 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)CC3=CC=C(C=C3)O

Technology Process of Tyrosine phenylthiohydantoin

There total 2 articles about Tyrosine phenylthiohydantoin 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 thioisocyanate (49645-33-2) + secretory phospholipase A2 from Crotalus durissus cascavella venom modified with naringin → 3-phenyl-2-thioxoimidazolidin-4-one (2010-15-3) + hexahydro-2-phenyl-3-thioxopyrrolo[1,2-c]imidazol-1-one (29635-99-2) + C13H12N4OS + (S)-5-(4-hydroxy-benzyl)-3-phenyl-2-thioxo-imidazolidin-4-one (29588-08-7) + 5-(hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one (29635-84-5) + 2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetic acid (29588-04-3) + L-arginine N-phenylthiohydantoin (29635-93-6) + (S)-5-methyl-3-phenyl-2-thioxoimidazolidin-4-one (7390-20-7) + 3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propanoic acid (7390-22-9) + 5-(1-hydroxyethyl)-3-phenyl-2-thioxoimidazolidin-4-one

Guidance literature:

secretory phospholipase A₂ from Crotalus durissus cascavella venom modified with naringin; With hydrogenchloride; phenol; In water; at 106 ℃; for 24h;

phenyl thioisocyanate; With triethylamine; In ethanol; water;

DOI:10.3390/molecules16010738

Reference yield:

L-tyrosine (60-18-4,18875-48-4,25619-78-7,30704-25-7) + phenyl isothiocyanate (103-72-0) → (S)-5-(4-hydroxy-benzyl)-3-phenyl-2-thioxo-imidazolidin-4-one (29588-08-7)

Guidance literature:

DOI:10.1093/sw/47.4.345

Reference yield: 80.0%

(S)-5-(4-hydroxy-benzyl)-3-phenyl-2-thioxo-imidazolidin-4-one (29588-08-7) + methylamine (74-89-5) → (S)-3-(4-Hydroxy-phenyl)-N-methyl-2-(3-phenyl-thioureido)-propionamide (67120-03-0)

Guidance literature:

In water; at 40 ℃;

upstream raw materials:

L-tyrosine

phenyl isothiocyanate

phenyl thioisocyanate

Downstream raw materials:

(S)-3-(4-Hydroxy-phenyl)-N-methyl-2-(3-phenyl-thioureido)-propionamide

Refernces