Hydantoin, 5,5-diphenyl-3-((4-methylpiperazinyl)methyl)-

Base Information

• Chemical Name: Hydantoin, 5,5-diphenyl-3-((4-methylpiperazinyl)methyl)-
• CAS No.: 21598-58-3
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.447
• NSC Number: 365741
• UNII: FQ5SU4JR2C
• DSSTox Substance ID: DTXSID60175960
• Nikkaji Number: J49.456I
• Wikidata: Q83046297
• ChEMBL ID: CHEMBL2237789
• Mol file: 21598-58-3.mol

Synonyms:21598-58-3;Hydantoin, 5,5-diphenyl-3-((4-methylpiperazinyl)methyl)-;FQ5SU4JR2C;NSC 365741;NSC-365741;BRN 0711262;5,5-Diphenyl-3-((4-methyl-1-piperazinyl)methyl)hydantoin;3-((4-Methyl-1-piperazinyl)methyl)-5,5-diphenyl-2,4-imidazolidinedione;NSC365741;UNII-FQ5SU4JR2C;CHEMBL2237789;DTXSID60175960;LS-76151;HYDANTOIN, 3-((4-METHYL-1-PIPERAZINYL)METHYL)-5,5-DIPHENYL-;2,4-IMIDAZOLIDINEDIONE, 3-((4-METHYL-1-PIPERAZINYL)METHYL)-5,5-DIPHENYL-

Chemical Property of Hydantoin, 5,5-diphenyl-3-((4-methylpiperazinyl)methyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 55.89000
• Density: 1.223g/cm³
• LogP: 1.82940
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 364.18992602
• Heavy Atom Count: 27
• Complexity: 528

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of Hydantoin, 5,5-diphenyl-3-((4-methylpiperazinyl)methyl)-

There total 2 articles about Hydantoin, 5,5-diphenyl-3-((4-methylpiperazinyl)methyl)- 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: 88.0%

1-methyl-piperazine (109-01-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + phenythoin (57-41-0) → 3-((4-methylpiperazin-1-yl)methyl)-5,5-diphenylimidazolidine-2,4-dione (21598-58-3)

Guidance literature:

In N,N-dimethyl-formamide; Microwave irradiation;

DOI:10.1007/s00044-011-9611-7

Reference yield:

benzil (134-81-6) → 3-((4-methylpiperazin-1-yl)methyl)-5,5-diphenylimidazolidine-2,4-dione (21598-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 0.58 h / Microwave irradiation; Alkaline conditions

2: N,N-dimethyl-formamide / Microwave irradiation

In dimethyl sulfoxide; N,N-dimethyl-formamide; 1: Pinacol rearrangement;

DOI:10.1007/s00044-011-9611-7

upstream raw materials:

1-methyl-piperazine

formaldehyd

phenythoin

benzil