(5S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione

Base Information

• Chemical Name: (5S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione
• CAS No.: 332855-88-6
• Molecular Formula: C₁₆H₁₅N₃O₂
• Molecular Weight: 281.314
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10583591
• Wikidata: Q82475179
• Mol file: 332855-88-6.mol

Synonyms:Fenamidone Metabolite;332855-88-6;(5S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione;(S)-5-Methyl-5-phenyl-3-(phenylamino)imidazolidine-2,4-dione;Fenamidone metabolite,pestanal;SCHEMBL20214571;(S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione;DTXSID10583591;RPA 410193;NS00067338;J-019129;(S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione, PESTANAL(R), analytical standard

Chemical Property of (5S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione

Chemical Property:

• Refractive Index: 1.653
• PSA: 64.93000
• Density: 1.3g/cm³
• LogP: 2.13160
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.116426730
• Heavy Atom Count: 21
• Complexity: 414

Purity/Quality:

95% ^*data from raw suppliers

FenamidoneMetabolite ^*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: CC1(C(=O)N(C(=O)N1)NC2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: C[C@@]1(C(=O)N(C(=O)N1)NC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of (5S)-3-Anilino-5-methyl-5-phenylimidazolidine-2,4-dione

There total 3 articles about (5S)-3-Anilino-5-methyl-5-phenylimidazolidine-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:

C17H19N3O3 (332061-48-0) → 5-methyl-5-phenyl-3-phenylamino-imidazolidine-2,4-dione (332855-88-6)

Guidance literature:

With acetic acid; In toluene; for 48h; Heating;

DOI:10.1002/1526-4998(200102)57:2<143::AID-PS282>3.0.CO;2-8

Reference yield:

2-isocyanato-2-phenyl-propionic acid methyl ester (332061-47-9) → 5-methyl-5-phenyl-3-phenylamino-imidazolidine-2,4-dione (332855-88-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / toluene / 48 h / Heating

With acetic acid; In toluene;

DOI:10.1002/1526-4998(200102)57:2<143::AID-PS282>3.0.CO;2-8

Reference yield:

methyl 2-amino-2-phenylpropanoate hydrochloride → 5-methyl-5-phenyl-3-phenylamino-imidazolidine-2,4-dione (332855-88-6)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / 0 °C

2: acetic acid / toluene / 48 h / Heating

With acetic acid; triethylamine; In toluene;

DOI:10.1002/1526-4998(200102)57:2<143::AID-PS282>3.0.CO;2-8

upstream raw materials:

C₁₇H₁₉N₃O₃

2-isocyanato-2-phenyl-propionic acid methyl ester