2,2,5,5-Tetramethyl-4-phenyl-3-imidazoline-3-oxide-1-oxyl

Base Information

• Chemical Name: 2,2,5,5-Tetramethyl-4-phenyl-3-imidazoline-3-oxide-1-oxyl
• CAS No.: 18796-03-7
• Molecular Formula: C13H17 N2 O2
• Molecular Weight: 233.29
• Hs Code.: 29332990
• Nikkaji Number: J308.957F
• Mol file: 18796-03-7.mol

Synonyms:18796-03-7;2,2,5,5-TETRAMETHYL-4-PHENYL-3-IMIDAZOLINE-3-OXIDE-1-OXYL;3-$l^{1};FT-0619390;1H-Imidazol-1-yloxy,2,5-dihydro-2,2,5,5-tetramethyl-4-phenyl-,3-oxide

Chemical Property of 2,2,5,5-Tetramethyl-4-phenyl-3-imidazoline-3-oxide-1-oxyl

Chemical Property:

• Melting Point: 103-105 °C(lit.)
• Refractive Index: 1.6450 (estimate)
• Boiling Point: 378.6°Cat760mmHg
• Flash Point: 182.8°C
• PSA: 31.99000
• Density: 1.17g/cm³
• LogP: 2.05850
• Storage Temp.: 0-6°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.129002789
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

98%Min ^*data from raw suppliers

2,2,5,5-TETRAMETHYL-4-PHENYL-3-IMIDAZOLINE-3-OXIDE-1-OXYL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=[N+](C(N1[O])(C)C)[O-])C2=CC=CC=C2)C

Technology Process of 2,2,5,5-Tetramethyl-4-phenyl-3-imidazoline-3-oxide-1-oxyl

There total 3 articles about 2,2,5,5-Tetramethyl-4-phenyl-3-imidazoline-3-oxide-1-oxyl 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: 60.0%

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

Guidance literature:

With hydrogenchloride; sodium nitrite; In chloroform; water; for 0.5h;

DOI:10.1007/BF00957948

Reference yield:

4-phenyl-2,2,5,5-tetramethyl-3-imidazoline 3-oxide (64934-88-9) → 4-phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy-3-oxide (18796-03-7)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 25 ℃; Product distribution; oxidation of secondary and tertiary amines with dimethyldioxirane; stoichiometry; formation of nitroxy radicals, which induce decomposition of dimethyldioxirane; ESR study; chemiluminescence;

DOI:10.1007/BF02641545

Reference yield:

→ 4-phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy-3-oxide (18796-03-7)

Guidance literature:

1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-Δ³-imidazolin-3-oxid, Tollens Reagenz;

DOI:10.1016/S0040-4039(01)98892-6

upstream raw materials:

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

4-phenyl-2,2,5,5-tetramethyl-3-imidazoline 3-oxide

Downstream raw materials:

(2-methyl-2-nitroso-1-phenylpropan-1-one oxime)palladium dichloride

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

1-hydroxy-2,2,5,5-tetramethyl-4-(p-nitrophenyl)-3-imidazoline 3-oxide

2,2,5,5-Tetramethyl-4-(2-nitro-phenyl)-3-oxy-2,5-dihydro-imidazol-1-ol

Refernces

• 1、 Kabal'nova,Grabovsky,Shishlov,Shereshovets,Volodarskii,Tolstikov. "The formation of nitroxyl radicals in reactions of dimethyldioxirane with 2,2,6,6-tetramethylpiperidine and 2,2,5,5-tetramethyl-3-imidazoline-3-oxide derivatives". . p. 2419 - 2421. Retrieved 1998.