(5S)-5-methylimidazolidine-2,4-dione

Base Information

• Chemical Name: (5S)-5-methylimidazolidine-2,4-dione
• CAS No.: 40856-73-3
• Molecular Formula: C₄H₆N₂O₂
• Molecular Weight: 114.104
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70423560
• Nikkaji Number: J686.189J
• Wikidata: Q27166473
• ChEMBL ID: CHEMBL4303147
• Mol file: 40856-73-3.mol

Synonyms:40856-73-3;(5S)-5-methylimidazolidine-2,4-dione;(S)-5-METHYLHYDANTOIN;(l)-5-methylhydantoin;Methylhydantoin-5-(L);Prestwick_215;5-methylhydantoin-(L);Prestwick0_000860;Prestwick1_000860;Prestwick2_000860;Prestwick3_000860;Prestwick3_000864;(5S)-5-Methylhydantoin;L-5-METHYLHYDANTOIN;BSPBio_000879;BSPBio_000907;SPBio_002800;BPBio1_000967;BPBio1_000999;SCHEMBL8110002;CHEMBL4303147;CHEBI:94659;DTXSID70423560;VMAQYKGITHDWKL-REOHCLBHSA-N;HMS1570L21;HMS2097L21;HMS2097N09;HMS3714L21;(S)-5-methylimidazolidine-2,4-dione;CCG-220860;NCGC00179379-01;NCGC00179379-02;(R,S)-5-Methyl-imidazolidine-2,4-dione;BRD-K56033645-001-01-8;Q27166473

Chemical Property of (5S)-5-methylimidazolidine-2,4-dione

Chemical Property:

• Melting Point: 175-177°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.18000
• Density: 1.216g/cm³
• LogP: -0.86980
• Storage Temp.: -20°C Freezer
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.042927438
• Heavy Atom Count: 8
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

(S)-5-Methylhydantoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC(=O)N1
• Isomeric SMILES: C[C@H]1C(=O)NC(=O)N1
• Uses: (S)-5-Methylhydantoin (cas# 40856-73-3) is a compound useful in organic synthesis.

Technology Process of (5S)-5-methylimidazolidine-2,4-dione

There total 1 articles about (5S)-5-methylimidazolidine-2,4-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:

C21H22N4O5S → (S)-5-methylimidazolidine-2,4-dione (40856-73-3,616-03-5) + 3-hydroxymethyl-1-(4-methanesulfonylphenyl)-5-phenyl-1H-pyrazole (443920-00-1)

Guidance literature:

In water; at 37 ℃; pH=7.4; aq. phosphate buffer;

DOI:10.1021/ol101049g

Reference yield:

3,4-dimethoxyphenethyl bromide (40173-90-8) + (S)-5-methylimidazolidine-2,4-dione (40856-73-3,616-03-5) → 3-(3,4-dimethoxyphenethyl)-5-methylimidazolidine-2,4-dione

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 85 ℃;

DOI:10.1016/j.tetlet.2018.01.086

Reference yield:

(S)-5-methylimidazolidine-2,4-dione (40856-73-3,616-03-5) → N-carbamoyl-L-alanine (18409-49-9)

Guidance literature:

With 5-substituted hydantoin hydrolysing-enzyme; potassium chloride; tris hydrochloride; magnesium sulfate; ATP; at 30 ℃; for 20h;

Downstream raw materials:

N-carbamoyl-L-alanine

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