4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy

Base Information

• Chemical Name: 4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy
• CAS No.: 39753-69-0
• Molecular Formula: C13H18N2O
• Molecular Weight: 217.291
• Hs Code.: 29332990
• DSSTox Substance ID: DTXSID90369092
• Nikkaji Number: J308.254G
• Mol file: 39753-69-0.mol

Synonyms:39753-69-0;4-phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy;CID 2723746;PTMIO, free radical;DTXSID90369092;4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy, free radical;FT-0619389;4-Phenyl-2,2,5,5-tetramethylimidazoline-1-oxyl;4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy, free radical, 98%

Chemical Property of 4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy

Chemical Property:

• Melting Point: 81-82oC(lit.)
• Boiling Point: 312.6°Cat760mmHg
• Flash Point: 142.9°C
• PSA: 15.60000
• Density: 1.06g/cm³
• LogP: 2.02500
• Storage Temp.: 0-6°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 217.134088170
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-PHENYL-2,2,5,5-TETRAMETHYL-3-IMIDAZOLIN-1-YLOXY, FREE RADICAL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=NC(N1[O])(C)C)C2=CC=CC=C2)C

Technology Process of 4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy

There total 5 articles about 4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy 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: 14.0%

4-phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy-3-oxide (18796-03-7) → 2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl (39753-69-0) + 1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-3-imidazoline-3-oxide (18796-01-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; for 1h;

DOI:10.1007/BF00956162

Reference yield:

1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-3-imidazoline (39753-68-9) → 2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl (39753-69-0)

Guidance literature:

With manganese(IV) oxide; magnesium sulfate; In tetrahydrofuran; diethyl ether; for 2h;

DOI:10.1023/A:1009528126552

Reference yield:

2-methoxy-4,4-dimethyl-5-phenyl-4H-imidazole 3-oxide (259672-14-5) → 2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl (39753-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; diethyl ether / 1 h / 20 °C

2: 95 mg / MnO₂; MgSO₄ / various solvent(s); diethyl ether; tetrahydrofuran / 2 h

With manganese(IV) oxide; magnesium sulfate; In tetrahydrofuran; diethyl ether;

DOI:10.1023/A:1009528126552

upstream raw materials:

4-phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy-3-oxide

1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-3-imidazoline

2-methoxy-4,4-dimethyl-5-phenyl-4H-imidazole 3-oxide

2,2-dimethyl-5-methoxy-4-phenyl-2H-imidazol 1-oxide

Downstream raw materials:

1-methoxy-2,2,5,5-tetramethyl-4-phenyl-3-imidazoline

1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-3-imidazoline

4-carboxy-2,5-dihydro-2,2,5,5-trimethyl-3-imidazolin-1-oxyl 3-oxide

2,2,5,5-Tetramethyl-3-oxy-2,5-dihydro-1H-imidazole-4-carboxylic acid