5-Cyclobutyl-5-phenylhydantoin

Base Information

• Chemical Name: 5-Cyclobutyl-5-phenylhydantoin
• CAS No.: 125650-44-4
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.266
• Hs Code.: 2933990090
• European Community (EC) Number: 654-796-5
• NSC Number: 125690
• DSSTox Substance ID: DTXSID40925203
• Nikkaji Number: J656.605G
• Wikidata: Q70000024
• Mol file: 125650-44-4.mol

Synonyms:5-Cyclobutyl-5-phenylhydantoin;125650-44-4;5-cyclobutyl-5-phenylimidazolidine-2,4-dione;2,4-Imidazolidinedione, 5-cyclobutyl-5-phenyl-;NSC125690;Oprea1_235024;DTXSID40925203;AKOS024319130;CCG-236871;NSC-125690;AS-76134;CS-0334706;FT-0620354;4-Cyclobutyl-4-phenyl-4H-imidazole-2,5-diol;2-(1H-IMIDAZOL-2-YL)-1-PHENYLETHANONEHYDROCHLORIDE

Chemical Property of 5-Cyclobutyl-5-phenylhydantoin

Chemical Property:

• Melting Point: 234-235oC
• PKA: 8.61±0.10(Predicted)
• PSA: 58.20000
• Density: 1.272g/cm³
• LogP: 2.17900
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 345

Purity/Quality:

98%min ^*data from raw suppliers

5-cyclobutyl-5-phenylhydantoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

Technology Process of 5-Cyclobutyl-5-phenylhydantoin

There total 1 articles about 5-Cyclobutyl-5-phenylhydantoin 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:

1-cyclobutyl-1-phenyl-methanone (5407-98-7) + potassium cyanide (151-50-8) → 5-cyclobutyl-5-phenyl-imidazolidine-2,4-dione (125650-44-4)

Guidance literature:

With acetamide; water;

DOI:10.1021/ja01134a044

Reference yield:

5-cyclobutyl-5-phenyl-imidazolidine-2,4-dione (125650-44-4) → C13H14N2O2 (167074-25-1) + C13H14N2O2 (167074-26-2)

Guidance literature:

With tetraproline chiral stationary phase packed on HPLC column; In hexane; isopropyl alcohol; Resolution of racemate;

DOI:10.1002/chir.22001

upstream raw materials:

1-cyclobutyl-1-phenyl-methanone

potassium cyanide

Downstream raw materials:

C₁₃H₁₄N₂O₂

C₁₃H₁₄N₂O₂