5-(m-(Trifluoromethyl)benzylidene)hydantoin

Base Information

• Chemical Name: 5-(m-(Trifluoromethyl)benzylidene)hydantoin
• CAS No.: 76605-42-0
• Molecular Formula: C11H7 F3 N2 O2
• Molecular Weight: 256.184
• Hs Code.: 2933990090
• Nikkaji Number: J77.756K
• Wikidata: Q76388004
• ChEMBL ID: CHEMBL36681
• Mol file: 76605-42-0.mol

Synonyms:BRN 5058621;Hydantoin, 5-(m-(trifluoromethyl)benzylidene)-;(5Z)-5-[3-(trifluoromethyl)benzylidene]imidazolidine-2,4-dione;5-(m-(Trifluoromethyl)benzylidene)hydantoin;5-[m-(Trifluoromethyl)benzylidene]hydantoin;CHEMBL36681;76605-42-0;BHK103205;STK177549;AKOS005410730;LS-76300;(5Z)-5-{[3-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}IMIDAZOLIDINE-2,4-DIONE

Chemical Property of 5-(m-(Trifluoromethyl)benzylidene)hydantoin

Chemical Property:

• PSA: 58.20000
• Density: 1.463g/cm³
• LogP: 2.54330
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 256.04596196
• Heavy Atom Count: 18
• Complexity: 404

Purity/Quality:

99% ^*data from raw suppliers

5-(M-(TRIFLUOROMETHYL)BENZYLIDENE)HYDANTOIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)N2
• Isomeric SMILES: C1=CC(=CC(=C1)C(F)(F)F)/C=C\2/C(=O)NC(=O)N2

Technology Process of 5-(m-(Trifluoromethyl)benzylidene)hydantoin

There total 1 articles about 5-(m-(Trifluoromethyl)benzylidene)hydantoin 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: 85.0%

2,4-imidazolidinedione (461-72-3) + 3-Trifluoromethylbenzaldehyde (454-89-7) → 5-(3-trifluoromethylbenzylidene)imidazoline-2,4-dione (76605-42-0)

Guidance literature:

In ethanol; water; at 100 ℃; for 6h;

Reference yield: 86.0%

5-(3-trifluoromethylbenzylidene)imidazoline-2,4-dione (76605-42-0) → 5-(3-Trifluoromethyl-benzyl)-imidazolidine-2,4-dione (76605-52-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00136a018

Reference yield: 75.1%

5-(3-trifluoromethylbenzylidene)imidazoline-2,4-dione (76605-42-0) → 2-oxo-m-trifluoromethyl-3-phenylpropionic acid (120658-70-0)

Guidance literature:

With water; sodium hydroxide; at 105 ℃; for 2h;

upstream raw materials:

2,4-imidazolidinedione

3-Trifluoromethylbenzaldehyde

Downstream raw materials:

5-(3-Trifluoromethyl-benzyl)-imidazolidine-2,4-dione

2-oxo-m-trifluoromethyl-3-phenylpropionic acid

cinacalcet hydrochloride

cinacalcet